%chk=000268473.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268473

0 1
O 2.026065 0.202182 0.722469
O -2.125942 2.226165 1.463112
O -2.866163 2.317143 -0.647761
O 0.917873 -0.360283 -1.220651
N -0.186854 0.505926 0.636157
C -2.550015 -2.015413 -0.037987
C -2.377278 -0.720797 0.789424
C -1.541233 0.356611 0.074572
C 3.392478 -0.098657 0.180014
C -3.317365 -1.745552 -1.336571
C -1.206456 -2.689511 -0.323955
C -2.246531 1.714178 0.191029
C 3.652284 0.829790 -0.994988
C 4.232203 0.236336 1.408777
C 3.438591 -1.571570 -0.193981
C 0.925938 0.061678 -0.078539
H -1.917925 -0.971873 1.766944
H -3.381721 -0.324812 1.042057
H -3.163420 -2.715550 0.587731
H -1.457607 0.114670 -1.032368
H -3.508652 -2.676045 -1.883037
H -4.285479 -1.270321 -1.147365
H -2.757412 -1.089381 -2.015285
H -0.572346 -2.083831 -0.990406
H -0.635659 -2.863654 0.593159
H -1.345290 -3.657683 -0.816795
H -0.099964 0.791306 1.611612
H 3.479226 1.879623 -0.730060
H 4.680789 0.741991 -1.359819
H 2.983461 0.600091 -1.841608
H 3.943179 -0.378409 2.270919
H 4.099023 1.283411 1.710633
H 5.297550 0.071921 1.216826
H 2.760003 -1.789505 -1.035992
H 4.444358 -1.879052 -0.498301
H 3.129062 -2.212884 0.639091
H -2.559170 3.116262 1.561643


%chk=000268473-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268473

0 1
O 1.907648 0.160241 0.660854
O -1.786867 2.382463 1.703211
O -3.231292 2.450531 -0.115412
O 0.690957 -0.130575 -1.362396
N -0.338054 0.396642 0.676916
C -2.502869 -1.994739 -0.072297
C -2.686558 -0.592743 0.578911
C -1.688713 0.527738 0.129943
C 3.267824 -0.129413 0.038676
C -2.555615 -1.934034 -1.618428
C -1.242876 -2.757186 0.406566
C -2.314082 1.873945 0.503643
C 3.571110 0.927117 -1.042446
C 4.204640 0.016238 1.250367
C 3.282104 -1.567425 -0.518093
C 0.750973 0.124400 -0.126463
H -2.634162 -0.684510 1.682423
H -3.704951 -0.234412 0.328274
H -3.385537 -2.577119 0.270907
H -1.599284 0.507111 -0.969895
H -2.605808 -2.953919 -2.042483
H -3.442466 -1.375756 -1.974055
H -1.649731 -1.450896 -2.029053
H -0.321841 -2.316149 -0.010541
H -1.160198 -2.755861 1.509627
H -1.287253 -3.810468 0.070725
H -0.170131 0.650397 1.651566
H 3.498486 1.944370 -0.618332
H 4.600116 0.783389 -1.420215
H 2.868786 0.837957 -1.885916
H 3.937287 -0.709271 2.037955
H 4.135610 1.032985 1.674062
H 5.249279 -0.167059 0.941547
H 2.594662 -1.666295 -1.372875
H 4.304360 -1.821306 -0.853781
H 2.988795 -2.287863 0.266410
H -2.244750 3.235978 1.930800


