%chk=000228110.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228110

0 1
O -2.956667 3.172442 -0.211326
O -0.807565 3.020555 -0.103847
O -4.972743 -2.635811 0.131780
O -5.812453 -0.650194 -0.056899
N 1.445063 -0.135485 0.244389
N 0.369963 0.733229 0.126258
N -1.936641 2.516860 -0.115728
N -4.872702 -1.422088 0.045306
C 3.796717 -0.716206 0.427083
C 2.666942 0.323078 0.255639
C 4.831835 -0.478214 -0.677549
C 4.356036 -0.504721 1.845351
C 3.293497 -2.164492 0.305010
C 3.071983 1.759132 0.149276
C 4.318080 -0.590391 -2.081371
C 6.119156 -0.220377 -0.438491
C -0.899396 0.205167 0.108649
C -2.039993 1.072995 -0.010637
C -1.132273 -1.210895 0.205010
C -3.340848 0.520445 -0.029449
C -3.522218 -0.850246 0.065601
C -2.398901 -1.724581 0.184712
H 4.780500 0.495352 1.984020
H 3.574532 -0.640506 2.603289
H 5.146901 -1.231975 2.068570
H 4.127021 -2.873872 0.358659
H 2.766225 -2.339246 -0.640407
H 2.589224 -2.414463 1.108519
H 2.680822 2.236227 -0.762562
H 4.166244 1.888635 0.108313
H 2.723364 2.348964 1.011037
H 3.250099 -0.357702 -2.173899
H 4.456723 -1.614766 -2.459799
H 4.853419 0.077353 -2.770098
H 6.561293 -0.142908 0.541509
H 6.845221 -0.075210 -1.225735
H 0.505527 1.771758 0.059311
H -0.262597 -1.871840 0.296820
H -4.212478 1.194871 -0.121110
H -2.583011 -2.804971 0.258296


%chk=000228110-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228110

0 1
O -2.921657 3.259706 -0.082943
O -0.661293 3.015580 0.051819
O -5.089756 -2.631106 -0.044644
O -5.908868 -0.499503 -0.143112
N 1.456085 -0.262859 0.258436
N 0.390059 0.637453 0.169710
N -1.877649 2.511713 -0.003314
N -4.934813 -1.345863 -0.068895
C 3.853979 -0.714819 0.444403
C 2.667848 0.260581 0.291380
C 4.841096 -0.468594 -0.728023
C 4.494079 -0.436649 1.837456
C 3.384557 -2.197082 0.418988
C 2.947656 1.751674 0.222369
C 4.303536 -0.731323 -2.127341
C 6.124178 -0.058577 -0.543580
C -0.899142 0.164693 0.112831
C -2.033111 1.059000 0.027155
C -1.166486 -1.245394 0.135896
C -3.353150 0.560324 -0.032093
C -3.558793 -0.822941 -0.006793
C -2.467312 -1.734591 0.077448
H 4.850269 0.603194 1.941854
H 3.752531 -0.629069 2.632831
H 5.352723 -1.112184 2.000422
H 4.264657 -2.860541 0.494767
H 2.833218 -2.440450 -0.503352
H 2.710907 -2.402273 1.268246
H 2.486096 2.210918 -0.674362
H 4.028919 1.945468 0.172076
H 2.539428 2.282463 1.105577
H 3.330292 -0.231582 -2.295282
H 4.136573 -1.811916 -2.296302
H 5.010010 -0.377391 -2.896749
H 6.553763 0.126986 0.445437
H 6.795468 0.088210 -1.397880
H 0.488380 1.672294 0.150408
H -0.307251 -1.915020 0.200959
H -4.196105 1.252978 -0.096774
H -2.675018 -2.807602 0.094472


