%chk=000247242.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247242

0 1
S -0.426718 -3.624500 -0.380219
O -0.887647 -3.964333 -1.713027
O -0.420213 -4.615459 0.668658
O -3.477373 2.442579 -0.420976
N 1.255608 -3.177327 -0.684642
N 1.715041 -2.254013 0.279744
N 3.311842 2.048620 1.435812
N 0.778335 1.493417 -2.557107
N -3.076418 1.321028 1.557968
N 1.201520 -0.410357 -1.179142
N 2.686160 -0.150032 0.751584
N 2.025373 1.815418 -0.556565
C -1.235257 -2.214415 0.172309
C -1.335352 -1.945818 1.543447
C -1.774286 -1.312414 -0.753514
C -2.473882 0.133905 1.049744
C -1.952214 -0.782535 1.993574
C -2.396692 -0.141423 -0.327447
C 1.888806 -0.890881 -0.089443
C 2.688158 1.222629 0.506390
C 1.314304 0.965970 -1.392185
C 3.619695 3.447590 1.048894
C 4.259429 1.441419 2.403003
C 0.607213 2.963220 -2.667868
C -0.192776 0.692097 -3.340887
C -3.546713 2.420058 0.789004
C -4.125578 3.528124 1.620824
H -0.924670 -2.657738 2.270429
H -1.708480 -1.528335 -1.826953
H 1.473814 -2.915377 -1.669383
H -2.016522 -0.585474 3.060053
H -2.814468 0.559180 -1.056965
H 2.510325 -2.656329 0.814559
H -3.136627 1.386071 2.578020
H 2.752406 3.895182 0.523796
H 3.811148 4.044936 1.954166
H 4.490677 3.519356 0.377108
H 5.232950 1.197723 1.947293
H 4.416078 2.132105 3.246223
H 3.836023 0.500383 2.809664
H 0.517067 3.242722 -3.729764
H -0.283088 3.322389 -2.123935
H 1.492154 3.484987 -2.253764
H -1.213674 0.748731 -2.926600
H -0.208525 1.055410 -4.381758
H 0.111406 -0.372805 -3.364586
H -3.386060 3.981008 2.295562
H -4.491769 4.336654 0.963697
H -4.982830 3.201952 2.225807


%chk=000247242-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247242

0 1
S -0.793684 -3.208648 -0.957141
O -1.060200 -2.726617 -2.512799
O -1.455065 -4.603329 -0.404714
O -2.953115 3.074852 1.505348
N 1.441839 -3.155307 -0.496446
N 1.767493 -2.066477 0.255441
N 2.861222 2.481221 0.854574
N 1.505153 0.871369 -3.377038
N -3.164544 1.068163 2.709297
N 1.689308 -0.637186 -1.582603
N 2.307655 0.196258 0.627483
N 2.210191 1.719212 -1.281915
C -1.482049 -1.847897 0.170561
C -1.952608 -2.222171 1.441871
C -1.551003 -0.526804 -0.300205
C -2.583093 0.123141 1.819562
C -2.507194 -1.226452 2.266821
C -2.105542 0.472754 0.525658
C 1.927671 -0.756576 -0.256039
C 2.453636 1.449536 0.042022
C 1.814518 0.657336 -2.059127
C 3.020767 3.847888 0.338965
C 3.129071 2.279152 2.285413
C 1.682269 2.190411 -4.001317
C 1.004486 -0.219909 -4.236316
C -3.334601 2.447013 2.535325
C -4.036130 3.150531 3.695033
H -1.916565 -3.271793 1.751672
H -1.202863 -0.287091 -1.310226
H 1.615668 -2.862214 -1.493925
H -2.890017 -1.497969 3.258909
H -2.176698 1.508499 0.190434
H 1.831620 -2.196594 1.267674
H -3.508911 0.681698 3.591003
H 2.795118 3.850279 -0.735896
H 2.329618 4.538090 0.860541
H 4.057806 4.200002 0.500970
H 4.174136 2.557649 2.522474
H 2.452254 2.909265 2.894709
H 2.966735 1.221709 2.534181
H 2.365783 2.112718 -4.868475
H 0.710146 2.583031 -4.356004
H 2.103685 2.882431 -3.259409
H 0.218646 0.182342 -4.900653
H 1.817099 -0.636278 -4.863328
H 0.577175 -1.027537 -3.623154
H -4.230646 2.500927 4.566099
H -3.420633 4.006799 4.018311
H -4.997907 3.557871 3.336979


