%chk=000148474.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148474

0 1
 O    7.363700       1.371500      0.8749000    
 N    7.354900     -0.9285000      0.5070000    
 C   -5.538200      0.9807000      0.5278000    
 C   -6.944700      0.3455000      0.7036000    
 C   -6.875500      -1.046100       1.306600    
 C   -4.527300     -2.9200001E-02 -6.4599998E-02
 C   -6.069100      -1.966300      0.4027000    
 C   -4.791300      -1.358100     -0.1393000    
 C   -5.738000       2.211700     -0.3899000    
 C   -5.032500       1.471000       1.904100    
 C   -3.264400      0.5345000     -0.5128000    
 C   -3.887500      -2.404700     -0.7491000    
 C   -2.078500     -5.8699999E-02 -0.3004000    
 C  -0.7705000      0.4462000     -0.7193000    
 C  -0.7384000       1.761800      -1.463100    
 C   0.3988000     -0.1876000     -0.4823000    
 C    1.741200      0.2239000     -0.8521000    
 C    2.829600     -0.5062000     -0.5525000    
 C    4.220100     -0.1791000     -0.8789000    
 C    5.192500      -1.034000     -0.4972000    
 C    4.484600       1.110500      -1.611300    
 C    6.663400     -0.9296000     -0.7506000    
 C    7.649500      0.2278000       1.219500    
 C    8.357600     -5.7100002E-02   2.516900    
 H   -7.578000      0.9835000       1.333000    
 H   -7.450000      0.2781000     -0.2701000    
 H   -7.886300      -1.450600       1.433800    
 H   -6.426100      -1.010700       2.305600    
 H   -5.834400      -2.877200      0.9674000    
 H   -6.691600      -2.270700     -0.4486000    
 H   -6.572300       2.830200     -3.7099998E-02
 H   -4.858000       2.863600     -0.4096000    
 H   -5.962400       1.909500      -1.419400    
 H   -4.839800      0.6378000       2.588600    
 H   -4.097900       2.036200       1.809700    
 H   -5.763800       2.133500       2.381100    
 H   -3.318500       1.458300      -1.076700    
 H   -3.300600      -2.907600      2.5699999E-02
 H   -4.490900      -3.169600      -1.253100    
 H   -3.225300      -2.013200      -1.525300    
 H   -2.022300     -0.9678000      0.2942000    
 H   -1.198900       2.547900     -0.8523000    
 H   0.2422000       2.144600      -1.741400    
 H   -1.306300       1.676500      -2.397300    
 H   0.3502000      -1.135100      5.5900000E-02
 H    1.873400       1.150900      -1.392100    
 H    2.684900      -1.440900     -1.0600000E-02
 H    4.903200      -1.943300      3.2000002E-02
 H    6.961800     -4.8700001E-02  -1.320200    
 H    6.997400      -1.812000      -1.306300    
 H    5.541900       1.312800      -1.789300    
 H    3.996300       1.100500      -2.592100    
 H    4.102400       1.962500      -1.037500    
 H    7.620300      -1.827100      0.9005000    
 H    8.796000      0.8656000       2.906900    
 H    7.641000     -0.4516000       3.242300    
 H    9.158500     -0.7858000       2.362600    


%chk=000148474-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148474

0 1
O 8.242087 0.877500 -0.743886
N 7.293832 -0.707504 0.675405
C -5.573901 0.964045 0.624010
C -7.030377 0.414569 0.634813
C -7.096905 -1.077639 1.000504
C -4.598275 -0.025553 -0.080948
C -6.345728 -1.887402 -0.070118
C -4.985040 -1.305076 -0.436359
C -5.610527 2.336225 -0.116838
C -5.088911 1.207460 2.084718
C -3.250650 0.515454 -0.345619
C -4.142491 -2.258701 -1.268018
C -2.048825 -0.155960 -0.257776
C -0.732059 0.416719 -0.523663
C -0.645415 1.864170 -0.975921
C 0.387548 -0.392326 -0.351416
C 1.773152 -0.040335 -0.555600
C 2.818967 -0.920761 -0.347714
C 4.239738 -0.629151 -0.540587
C 5.160074 -1.623002 -0.277168
C 4.644680 0.753601 -1.024316
C 6.667109 -1.500587 -0.410816
C 8.033596 0.438736 0.431373
C 8.584191 1.144082 1.668645
H -7.631726 1.022922 1.338810
H -7.475925 0.552617 -0.372322
H -8.147946 -1.417022 1.071090
H -6.636853 -1.248591 1.993122
H -6.200866 -2.936236 0.264001
H -6.964792 -1.957318 -0.992176
H -6.437253 2.949920 0.288862
H -4.680645 2.917110 0.018635
H -5.784321 2.202623 -1.200687
H -5.146592 0.282816 2.686961
H -4.037594 1.548137 2.097794
H -5.710332 1.981226 2.575495
H -3.206587 1.585498 -0.588063
H -3.657257 -3.033960 -0.640162
H -4.793160 -2.801298 -1.982288
H -3.351152 -1.743840 -1.836275
H -2.055005 -1.205486 0.067802
H -1.077170 2.541123 -0.213587
H 0.389894 2.188469 -1.160951
H -1.219808 2.020513 -1.908689
H 0.204495 -1.426972 -0.019267
H 2.006562 0.977558 -0.892070
H 2.575595 -1.939519 -0.006456
H 4.778248 -2.597052 0.063858
H 6.963433 -0.992586 -1.346759
H 7.120512 -2.509765 -0.424277
H 5.730949 0.850270 -1.175202
H 4.144033 0.992703 -1.981661
H 4.336005 1.527984 -0.295750
H 7.106574 -0.986473 1.639857
H 9.684505 1.190211 1.595608
H 8.214609 2.183894 1.684100
H 8.309800 0.651961 2.617937


