%chk=000270225.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270225

0 1
S 2.773365 -1.434483 -0.375837
O 3.186873 -0.954247 -1.668408
O 3.460879 -2.562066 0.218286
O -2.416612 1.903472 -0.290788
N -3.990609 0.362270 -0.896528
N 3.131562 -0.194949 0.814553
N 2.866807 1.909781 1.897029
N 1.318937 1.173991 0.137429
C -3.212548 -1.879205 -0.075537
C -1.712960 -1.848281 -0.188096
C 1.078577 -1.665020 -0.326505
C -3.778490 -0.492945 0.293153
C -1.104264 -1.216903 -1.282919
C -0.916450 -2.434232 0.811611
C 0.286038 -1.108875 -1.339996
C 0.473486 -2.342991 0.738195
C 2.431656 0.999115 0.945920
C -3.224472 1.511704 -1.117558
C -3.505011 2.221167 -2.412903
C 2.119270 3.032027 2.041592
C 0.588496 2.298405 0.339131
C 0.959172 3.265267 1.288216
H -3.534417 -2.612739 0.693330
H -3.657787 -2.249338 -1.022143
H -4.751814 -0.612774 0.819944
H -3.086734 0.032285 1.000496
H -1.712664 -0.780082 -2.070939
H -1.379673 -2.946799 1.651915
H 0.759336 -0.574292 -2.173815
H 1.089389 -2.801257 1.519276
H -4.628928 0.010068 -1.599708
H 3.958274 -0.298395 1.428623
H -3.251013 1.612327 -3.289836
H -4.554644 2.529775 -2.505827
H -2.897677 3.140130 -2.475882
H 2.474084 3.750135 2.792218
H -0.325031 2.402918 -0.274022
H 0.360997 4.157635 1.434730


%chk=000270225-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270225

0 1
S 2.770129 -1.352551 -0.531921
O 3.067871 -0.741694 -2.004117
O 3.614968 -2.634345 0.000193
O -2.514788 1.873465 -0.101068
N -3.955792 0.279395 -1.004730
N 3.111132 -0.134297 0.810216
N 3.090100 1.959474 1.842685
N 1.276345 1.278885 0.338382
C -3.361186 -1.999599 -0.064005
C -1.849589 -1.949642 -0.206704
C 0.914417 -1.633119 -0.387140
C -3.991207 -0.591359 0.179006
C -1.249814 -1.534113 -1.424675
C -1.014269 -2.257762 0.899500
C 0.144575 -1.353328 -1.523101
C 0.388611 -2.115693 0.818344
C 2.469247 1.089135 0.981078
C -3.215665 1.452271 -1.072235
C -3.295025 2.203268 -2.398510
C 2.404020 3.109426 2.105199
C 0.611839 2.431745 0.637266
C 1.142277 3.391210 1.533043
H -3.642310 -2.638485 0.794295
H -3.827021 -2.449024 -0.963201
H -5.041480 -0.722476 0.505160
H -3.445085 -0.058946 0.976354
H -1.879343 -1.326863 -2.296909
H -1.462917 -2.602704 1.838344
H 0.623834 -0.982192 -2.434006
H 1.037141 -2.347487 1.668711
H -4.518723 0.013311 -1.814553
H 4.037661 -0.263811 1.232848
H -2.286219 2.250689 -2.844608
H -3.984523 1.745471 -3.129088
H -3.616226 3.241131 -2.206817
H 2.893086 3.809894 2.791270
H -0.369578 2.554355 0.165334
H 0.598908 4.308966 1.768562


