%chk=000122364.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122364

0 1
 S   -6.105800       1.586300      0.3991000    
 N   -2.253000     -0.7538000     -0.1640000    
 N   -3.910100      0.9154000      -1.021600    
 N   -4.120100     -0.1812000       1.232600    
 C    1.560400     -0.9221000     -0.2018000    
 C    2.679800      8.2000002E-02  9.3099996E-02
 C   0.1557000     -0.3244000     -6.9300003E-02
 C    4.109600     -0.4312000     -0.1029000    
 C  -0.9454000      -1.356200     -0.3039000    
 C    5.179200      0.6341000      0.1447000    
 C   -2.841900     -5.5799998E-02  -1.302200    
 C    6.585400      4.5100000E-02  2.5200000E-02
 C   -2.950800     -0.6901000       1.020100    
 C   -4.796600      0.3460000      1.3100000E-02
 C    7.653600       1.105900      0.2378000    
 H    1.660400      -1.774400      0.4814000    
 H    1.688500      -1.313900      -1.218300    
 H    2.570800      0.4371000       1.125800    
 H    2.536600      0.9594000     -0.5507000    
 H   5.1199999E-02  0.5059000     -0.7781000    
 H   4.1000001E-02  0.1085000      0.9326000    
 H    4.214800     -0.8172000      -1.124400    
 H    4.273900      -1.279000      0.5735000    
 H  -0.8372000      -2.187100      0.4039000    
 H  -0.8424000      -1.789400      -1.306300    
 H    5.045800       1.062600       1.145300    
 H    5.054600       1.451100     -0.5762000    
 H   -3.246900     -0.8115000      -1.986800    
 H   -2.061600      0.4682000      -1.866000    
 H    6.718900     -0.7539000      0.7637000    
 H    6.718100     -0.4036000     -0.9662000    
 H   -2.398400      -1.128900       1.866900    
 H   -3.484800       1.757400     -0.6332000    
 H   -5.345100     -0.4922000     -0.4342000    
 H    8.650600      0.6632000      0.1488000    
 H    7.568300       1.903400     -0.5072000    
 H    7.568400       1.554300       1.232800    
 H   -5.284400       2.508700      0.9214000    


%chk=000122364-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122364

0 1
S -5.819034 1.996641 0.442673
N -2.309387 -0.757478 -0.202997
N -3.834920 0.936546 -1.108289
N -4.328840 -0.257232 1.044740
C 1.583877 -0.864183 -0.122191
C 2.707636 0.181989 0.054517
C 0.168571 -0.250468 -0.034329
C 4.126236 -0.422418 -0.048417
C -0.946191 -1.311329 -0.209087
C 5.249220 0.625193 0.123679
C -2.870189 -0.115467 -1.435749
C 6.669228 0.023712 0.015386
C -3.112386 -0.758325 0.927957
C -4.854124 0.451347 -0.141324
C 7.784189 1.078685 0.183287
H 1.694100 -1.653373 0.650901
H 1.707267 -1.370032 -1.102965
H 2.591915 0.681604 1.038743
H 2.592049 0.976239 -0.712301
H 0.058874 0.532409 -0.812419
H 0.034091 0.254827 0.942413
H 4.241088 -0.923261 -1.032660
H 4.244479 -1.215534 0.719380
H -0.872386 -2.062266 0.602266
H -0.788173 -1.859488 -1.161020
H 5.138548 1.124711 1.108962
H 5.130661 1.420212 -0.642175
H -3.370207 -0.891824 -2.048718
H -2.043165 0.313799 -2.026790
H 6.788875 -0.768278 0.782734
H 6.778105 -0.477857 -0.968032
H -2.671935 -1.246301 1.808947
H -3.391034 1.799054 -0.761402
H -5.578360 -0.194651 -0.666764
H 8.788660 0.623787 0.103779
H 7.706265 1.863877 -0.592337
H 7.714767 1.574738 1.169846
H -5.847269 1.569095 1.758256


