%chk=000153644.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153644

0 1
 S   0.1178000      -1.828100      0.3888000    
 N   -2.518200     -0.3636000       1.320300    
 N    3.367000     -0.2187000      0.8964000    
 N   -5.545700       1.250500      -1.087400    
 N    6.498200      9.2399999E-02  -1.872400    
 C   -3.518900      0.1698000      0.5244000    
 C    3.600600      -1.223000      2.9600000E-02
 C    4.638400      -1.161700     -0.9156000    
 C    2.803100      -2.364200      5.2999999E-02
 C   -4.706200     -0.5568000      0.2608000    
 C   -3.385000       1.458100     -4.9500000E-02
 C   -2.377900      -1.775000       1.592700    
 C    5.435800     -1.2800000E-02 -0.9341000    
 C    1.682300      -2.483200       1.039100    
 C    5.197800       1.033000     -3.6699999E-02
 C  -0.9213000      -2.152500       1.831400    
 C   -5.694600      2.3499999E-02 -0.5520000    
 C   -4.425200       1.959600     -0.8501000    
 C    4.138100      0.8856000      0.8742000    
 C    4.855000      -2.227700      -1.805900    
 C    3.015600      -3.425600     -0.8303000    
 C    4.043500      -3.357500      -1.761900    
 C   -4.893500      -1.839700      0.8041000    
 C   -2.228600       2.224400      0.1782000    
 C    5.983300       2.198800     -3.3100002E-02
 C   -6.853100     -0.7087000     -0.7976000    
 C   -4.271900       3.227900      -1.403800    
 C    3.896000       1.923400       1.770400    
 C   -6.060800      -2.551000      0.5432000    
 C   -2.100100       3.489600     -0.3870000    
 C   -7.042500      -1.984000     -0.2594000    
 C   -3.124100       3.992100      -1.179600    
 C    5.720500       3.221800      0.8731000    
 C    4.674600       3.083400       1.776600    
 H   -2.651200      -2.412800      0.7437000    
 H   -2.869200      -2.023700       2.540400    
 H    1.929900      -1.972800       1.976600    
 H    1.535600      -3.537700       1.302900    
 H   -1.841800      0.2542000       1.748700    
 H  -0.8609000      -3.217800       2.079700    
 H  -0.5225000      -1.583500       2.678800    
 H    5.641300      -2.229300      -2.553200    
 H    2.384200      -4.309800     -0.8017000    
 H    4.212200      -4.179600      -2.450800    
 H   -4.377700      -2.343600       1.591600    
 H   -1.394800       1.874700      0.7787000    
 H    6.811400       2.361200     -0.7145000    
 H   -7.638200     -0.2852000      -1.421500    
 H   -5.060300       3.643700      -2.028800    
 H    3.081800       1.838700       2.488000    
 H   -6.227800      -3.523500      0.9976000    
 H   -1.204900       4.078600     -0.2124000    
 H    7.090400      0.9073000      -1.913700    
 H    6.695700     -0.6423000      -2.534000    
 H   -7.961900      -2.526000     -0.4606000    
 H   -3.033600       4.978000      -1.626200    
 H    6.328100       4.121500      0.8743000    
 H    4.460900       3.875700       2.488000    


%chk=000153644-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153644

0 1
S 0.171527 -3.739593 0.470448
N -1.298639 -0.922125 1.017121
N 2.127393 -0.884784 1.123240
N -3.789427 1.597863 -1.427881
N 4.158034 1.833664 -1.473118
C -2.162586 -0.160169 0.241172
C 2.787975 -1.336356 0.007274
C 3.497566 -0.458452 -0.911728
C 2.766891 -2.764749 -0.261537
C -3.524052 0.155605 0.608060
C -1.651590 0.389543 -0.999876
C -1.609679 -2.039018 1.922986
C 3.523732 0.952609 -0.622771
C 2.081605 -3.702394 0.695229
C 2.875714 1.430327 0.570282
C -0.375383 -2.938765 2.104468
C -4.289754 1.024443 -0.287883
C -2.496490 1.290892 -1.767691
C 2.182943 0.462307 1.402289
C 4.131920 -1.022413 -2.069416
C 3.408534 -3.259851 -1.400061
C 4.086678 -2.392867 -2.312827
C -4.169309 -0.279890 1.820309
C -0.356488 0.058919 -1.527991
C 2.871897 2.810742 0.965192
C -5.654699 1.344003 0.045047
C -1.971001 1.883723 -2.969759
C 1.511057 0.929135 2.584833
C -5.486731 0.064578 2.118168
C 0.116191 0.635709 -2.706863
C -6.246550 0.875271 1.212502
C -0.692869 1.574955 -3.426906
C 2.213622 3.229100 2.120122
C 1.522910 2.275484 2.937507
H -2.469403 -2.620452 1.535930
H -1.882672 -1.681434 2.938928
H 2.250544 -3.404238 1.741257
H 2.417051 -4.740479 0.544885
H -0.311847 -0.907454 0.739676
H -0.597844 -3.733095 2.835527
H 0.486093 -2.336154 2.441630
H 4.670508 -0.387835 -2.783866
H 3.391543 -4.338278 -1.597165
H 4.575325 -2.812417 -3.198215
H -3.623827 -0.883814 2.545707
H 0.264841 -0.699998 -1.041060
H 3.393358 3.567847 0.366620
H -6.191200 1.981959 -0.664124
H -2.631930 2.570984 -3.507256
H 0.991643 0.182919 3.194130
H -5.942237 -0.282908 3.052132
H 1.099459 0.346676 -3.095430
H 4.134187 2.834168 -1.302598
H 4.617596 1.513715 -2.319715
H -7.285234 1.132111 1.449413
H -0.312322 2.027685 -4.349869
H 2.219610 4.286407 2.404682
H 1.002518 2.612735 3.840342


