%chk=000240364.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240364

0 1
S 0.560339 0.359582 1.150414
O 0.095575 -0.895426 1.703774
O 1.528828 1.133742 1.905624
O -3.690131 -0.503663 2.015682
O -1.366024 -0.535237 -1.931348
N -0.846068 2.733241 0.791422
N -2.429739 -0.453643 0.089038
N 1.177929 0.060712 -0.418669
N -2.845513 1.997945 -0.003217
C -0.777477 1.341875 0.759033
C -2.040812 0.913322 0.271716
C -2.100377 3.102330 0.325734
C 0.217690 3.642652 1.219823
C 2.500500 -0.371686 -0.711977
C -2.976816 -1.131368 1.281133
C -2.217133 -1.020988 -1.212422
C 2.756298 -0.911448 -1.992187
C 3.543699 -0.247251 0.224888
C -2.478340 -2.514573 1.499323
C -3.092972 -2.165763 -1.599574
C 4.047710 -1.323024 -2.317265
C 4.826609 -0.671219 -0.123806
C 5.087143 -1.209822 -1.387765
H -2.449158 4.123193 0.235981
H 0.506047 -0.026823 -1.213007
H -0.189610 4.483260 1.808009
H 0.972983 3.121502 1.864039
H 0.767245 4.048293 0.348929
H 1.954356 -1.005717 -2.720523
H 3.374678 0.192357 1.211599
H -2.994852 -2.991914 2.346555
H -2.551093 -3.183571 0.632580
H -1.392809 -2.462178 1.775390
H -4.161907 -1.902482 -1.534815
H -2.895991 -2.462296 -2.644534
H -2.933573 -3.059019 -0.971877
H 4.246229 -1.738604 -3.304960
H 5.634534 -0.576826 0.602283
H 6.089900 -1.536865 -1.646723


%chk=000240364-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240364

0 1
S 0.661405 0.202331 1.191197
O 0.116247 -1.319504 1.449331
O 1.640135 0.890932 2.298697
O -3.672657 -0.350097 2.229423
O -1.081164 -0.550310 -1.613420
N -0.816527 2.653875 0.931253
N -2.531282 -0.475662 0.207245
N 1.451639 0.594489 -0.595786
N -2.871042 1.981710 0.211849
C -0.820991 1.259218 0.906578
C -2.084540 0.866043 0.457266
C -2.083503 3.039141 0.514920
C 0.310735 3.539887 1.277836
C 2.687323 -0.047603 -0.875190
C -3.250791 -1.089843 1.311152
C -2.056732 -1.072275 -0.998128
C 2.778879 -1.078752 -1.855379
C 3.860432 0.390543 -0.196024
C -3.358519 -2.602142 1.377287
C -2.771323 -2.276925 -1.581205
C 4.035327 -1.627303 -2.182465
C 5.104713 -0.191454 -0.505795
C 5.199840 -1.192893 -1.504175
H -2.384375 4.082253 0.453386
H 0.663105 0.262700 -1.201951
H -0.036974 4.582627 1.212331
H 0.667565 3.323786 2.296259
H 1.140969 3.378743 0.570523
H 1.867280 -1.426771 -2.356390
H 3.772184 1.175067 0.561599
H -3.734549 -2.850800 2.380583
H -4.060890 -3.012738 0.633872
H -2.368596 -3.069145 1.235387
H -3.863616 -2.220528 -1.451061
H -2.529700 -2.305827 -2.654593
H -2.406448 -3.215198 -1.129088
H 4.106533 -2.403817 -2.951882
H 6.004923 0.141077 0.022291
H 6.172884 -1.632239 -1.749431


