%chk=000217999.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217999

0 1
S 2.060212 0.843979 0.508654
O 0.735688 -2.795704 -0.164356
O -3.452398 0.018859 -0.242049
O -7.032450 0.050243 -0.650711
O -5.513481 -1.711504 -0.733196
N 1.417092 -1.681601 0.075097
N -5.817712 -0.448338 -0.583085
C 4.797081 -0.031566 0.700394
C 5.340843 0.997128 -0.331075
C 3.365862 -0.430288 0.477557
C 6.812520 1.377217 -0.053643
C 2.849725 -1.683114 0.239712
C 0.822204 -0.434102 0.186409
C 7.362261 2.398429 -1.072110
C 3.560542 -3.000308 0.138340
C -0.577736 -0.237103 0.053409
C -1.230893 0.981124 0.155440
C -2.644442 1.153192 0.017893
C -3.470544 2.294044 0.091026
C -4.768564 0.493640 -0.323367
C -4.816499 1.872940 -0.125688
H 4.915247 0.391712 1.719058
H 5.420180 -0.945190 0.667314
H 4.714244 1.911549 -0.308406
H 5.246175 0.577327 -1.351735
H 6.895998 1.792535 0.971468
H 7.437615 0.461305 -0.071051
H 6.772662 3.334162 -1.054380
H 7.321455 1.995538 -2.101298
H 8.413695 2.658083 -0.852947
H 4.304608 -3.000665 -0.677300
H 4.079613 -3.256342 1.078568
H 2.806958 -3.778661 -0.070654
H -1.153411 -1.150306 -0.145127
H -0.670610 1.903061 0.354309
H -3.126911 3.308984 0.280541
H -5.719027 2.477739 -0.140210


%chk=000217999-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217999

0 1
S 2.054396 0.856616 0.583062
O 0.767457 -2.772915 -0.198162
O -3.449626 0.017715 -0.226889
O -7.012239 0.035222 -0.663167
O -5.493619 -1.696953 -0.774601
N 1.429044 -1.654850 0.074487
N -5.804361 -0.452228 -0.597843
C 4.794048 0.017514 0.745962
C 5.352443 0.962314 -0.356835
C 3.371025 -0.408772 0.519568
C 6.811088 1.386886 -0.075053
C 2.857538 -1.655519 0.241639
C 0.823607 -0.415731 0.217746
C 7.372877 2.330697 -1.159581
C 3.546062 -2.976441 0.094505
C -0.576312 -0.225670 0.082246
C -1.239009 0.985155 0.210916
C -2.652164 1.151074 0.067416
C -3.486638 2.285055 0.161571
C -4.767634 0.486370 -0.307245
C -4.827221 1.860579 -0.075877
H 4.882870 0.525312 1.727721
H 5.429502 -0.885904 0.804443
H 4.712746 1.864613 -0.429771
H 5.291173 0.453649 -1.338904
H 6.862069 1.885636 0.914391
H 7.449274 0.482805 -0.002181
H 6.771882 3.256541 -1.230485
H 7.361767 1.846194 -2.153745
H 8.415574 2.621554 -0.937751
H 4.633005 -2.881260 0.239729
H 3.143108 -3.701445 0.823997
H 3.349768 -3.400630 -0.906434
H -1.144110 -1.137611 -0.143691
H -0.686295 1.905589 0.436279
H -3.151473 3.297377 0.378370
H -5.733819 2.459463 -0.083031


