%chk=000127582.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127582

0 1
 S    4.290400      -1.488800      0.1124000    
 S    3.816100      9.6799999E-02  -1.107400    
 N    1.184400       1.893800      -2.082700    
 N    2.525500      0.8363000       1.174400    
 N  -0.3850000       2.871300     -0.8377000    
 N   0.4930000       2.177800       1.320600    
 N    1.560400       1.371300       3.239900    
 C   -1.269100      -2.131100     -0.2778000    
 C   -2.719300      -2.046700      0.2044000    
 C  -0.6368000      -3.472000      0.1017000    
 C   -3.366400     -0.7219000     -0.2064000    
 C   0.7935000      -3.640400     -0.4189000    
 C   -4.826000     -0.6542000      0.2486000    
 C    1.757200      -2.562200      8.6199999E-02
 C   -5.512600      0.6651000     -0.1108000    
 C    3.154000      -2.767700     -0.4949000    
 C   -6.982700      0.7096000      0.2764000    
 C    2.527200      0.9046000     -0.1759000    
 C    1.509900       1.611100     -0.7867000    
 C   0.5208000       2.228600     -3.2900002E-02
 C   4.2500000E-02   2.650600      -2.062500    
 C    1.522900       1.468100       1.830100    
 H  -0.7111000      -1.302400      0.1708000    
 H   -1.231700      -2.001800      -1.366000    
 H   -2.751200      -2.150400       1.295700    
 H   -3.294400      -2.880100     -0.2172000    
 H  -0.6374000      -3.579000       1.193500    
 H   -1.248900      -4.290400     -0.2965000    
 H   -2.806000      0.1131000      0.2316000    
 H   -3.317900     -0.6079000      -1.296000    
 H    1.162200      -4.628600     -0.1177000    
 H   0.7765000      -3.630200      -1.515900    
 H   -5.382500      -1.483400     -0.2059000    
 H   -4.876100     -0.7978000       1.335100    
 H    1.378100      -1.585000     -0.2173000    
 H    1.787000      -2.585400       1.182400    
 H   -4.988900       1.492700      0.3823000    
 H   -5.428900      0.8352000      -1.190900    
 H    3.546600      -3.736800     -0.1685000    
 H    3.142800      -2.777000      -1.590100    
 H   -7.544400     -8.0300003E-02 -0.2322000    
 H   -7.105500      0.5776000       1.356000    
 H   -7.420600       1.673100     -1.9000000E-03
 H    1.690600       1.599800      -2.907500    
 H  -0.4227000       3.005500      -2.971100    
 H   0.8406000       1.821900       3.787800    
 H    2.307200      0.8538000       3.682300    


%chk=000127582-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127582

0 1
S 4.530910 -1.555933 -0.009852
S 3.746917 0.257066 -1.129401
N 0.679296 1.512261 -1.784377
N 2.709784 1.056960 1.339135
N -0.836409 2.434562 -0.330544
N 0.519582 2.133595 1.723469
N 2.009539 1.686256 3.482424
C -1.264309 -2.178453 -0.441312
C -2.720875 -2.021605 0.050006
C -0.588120 -3.479536 0.052824
C -3.386463 -0.714504 -0.438672
C 0.844015 -3.703417 -0.495496
C -4.824817 -0.519105 0.089947
C 1.850719 -2.625709 -0.021743
C -5.478944 0.791400 -0.405916
C 3.265286 -2.865874 -0.562387
C -6.904237 1.003865 0.148051
C 2.484102 0.968360 0.018285
C 1.277128 1.459816 -0.519949
C 0.313724 2.040512 0.383643
C -0.572929 2.103091 -1.607551
C 1.726038 1.628421 2.137799
H -0.684287 -1.296004 -0.102715
H -1.247302 -2.159986 -1.552371
H -2.735137 -2.044737 1.159832
H -3.320750 -2.893102 -0.287529
H -0.558854 -3.477108 1.162303
H -1.221575 -4.342129 -0.239749
H -2.767303 0.152633 -0.128655
H -3.401839 -0.707035 -1.550082
H 1.203143 -4.703786 -0.177221
H 0.812541 -3.718090 -1.605420
H -5.454388 -1.382777 -0.212465
H -4.808646 -0.518585 1.200019
H 1.505716 -1.630500 -0.357905
H 1.875415 -2.597717 1.085061
H -4.835367 1.646933 -0.117341
H -5.509591 0.784730 -1.515301
H 3.703909 -3.803913 -0.167875
H 3.288788 -2.907248 -1.664613
H -7.572994 0.172169 -0.145142
H -6.894980 1.052531 1.253417
H -7.349098 1.944274 -0.226758
H 1.082921 1.170263 -2.655712
H -1.255713 2.272045 -2.437879
H 1.330205 2.105182 4.111365
H 2.898548 1.326128 3.817253


