%chk=000253867.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253867

0 1
S 0.666042 -1.482622 -0.006687
O -5.073276 -2.441327 -0.010393
O -5.834358 2.117843 0.009696
N -3.631617 1.453783 0.006635
N -5.458260 -0.167829 -0.000319
N -2.053711 -1.765096 -0.007655
N -1.341748 0.420366 0.001989
C -3.203989 -0.952380 -0.003830
C -2.735232 0.391181 0.001999
C 3.095462 -0.361795 -0.001672
C 4.015334 0.872479 0.002613
C 1.634999 0.063052 -0.000621
C -4.598632 -1.324313 -0.005230
C -0.971467 -0.902633 -0.003932
C -5.041583 1.195965 0.005654
C 5.460367 0.450651 0.001221
C -3.138575 2.852156 0.013073
C -6.931974 -0.385211 -0.001451
C 6.136584 0.244314 1.213310
C 6.137045 0.253848 -1.212193
C 7.476902 -0.150990 1.209045
C 7.477363 -0.141478 -1.210524
C 8.150152 -0.344351 -0.001390
H 3.328916 -0.992724 0.882427
H 3.329387 -0.986898 -0.889773
H 3.798199 1.513545 -0.876357
H 3.798143 1.507463 0.885977
H 1.372554 0.677529 -0.885148
H 1.371968 0.670997 0.888253
H -2.069599 -2.771931 -0.012055
H -3.993104 3.556645 0.014920
H -2.519833 3.043226 -0.881659
H -2.522073 3.035845 0.910883
H -7.152873 -1.469674 -0.005794
H -7.388067 0.076033 -0.894476
H -7.388388 0.068933 0.895043
H 5.618830 0.391870 2.158783
H 5.619652 0.408819 -2.156677
H 7.998212 -0.308519 2.152041
H 7.999034 -0.291584 -2.154531
H 9.193812 -0.651188 -0.002397


%chk=000253867-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253867

0 1
S 0.600920 -1.775573 0.052526
O -5.249391 -2.439091 -0.011873
O -5.737019 2.261093 -0.037437
N -3.551469 1.405163 -0.006701
N -5.471483 -0.068610 -0.024206
N -2.191376 -1.877222 0.022911
N -1.358112 0.246101 0.024298
C -3.297240 -1.012952 0.006306
C -2.748835 0.276202 0.007591
C 3.091697 -0.481427 0.038339
C 3.948571 0.819134 0.048343
C 1.593767 -0.148226 0.061988
C -4.705277 -1.291653 -0.009766
C -1.055350 -1.081975 0.032958
C -4.963435 1.261351 -0.023598
C 5.439713 0.513965 0.013036
C -2.956258 2.754668 -0.005323
C -6.947951 -0.183089 -0.041853
C 6.170690 0.322320 1.213785
C 6.121077 0.372463 -1.223337
C 7.545607 -0.003206 1.181706
C 7.495789 0.047084 -1.261052
C 8.213182 -0.143102 -0.057175
H 3.363668 -1.100642 0.914465
H 3.340002 -1.071764 -0.864237
H 3.666321 1.439436 -0.824651
H 3.699953 1.404102 0.955257
H 1.271605 0.423930 -0.822294
H 1.294346 0.401241 0.968498
H -2.245102 -2.895608 0.026310
H -3.782352 3.480255 -0.018939
H -2.317671 2.888607 -0.894642
H -2.340085 2.896669 0.898435
H -7.192128 -1.255554 -0.039342
H -7.354955 0.304693 -0.942588
H -7.376953 0.313932 0.843482
H 5.661090 0.435538 2.179217
H 5.572522 0.524854 -2.161667
H 8.095724 -0.142919 2.119250
H 8.007055 -0.053446 -2.225230
H 9.279741 -0.392745 -0.083990


