%chk=000236705.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236705

0 1
O 3.282867 0.466301 -1.079552
O -3.292609 0.916831 -0.635412
O 3.546101 -1.067270 0.577030
O -3.475779 -0.038012 1.418870
N 0.571784 -1.074392 -0.554662
N -0.536778 1.068076 0.911691
C 0.813451 0.938850 0.797963
C -0.778402 -0.947023 -0.438178
C 1.349694 -0.151236 0.055618
C -1.314552 0.140130 0.308521
C 1.679948 1.948036 1.460493
C -1.644829 -1.957483 -1.098855
C 2.832689 -0.352794 -0.078196
C -2.796534 0.310780 0.488450
C 4.713525 0.434080 -1.401093
C -4.731272 1.197862 -0.684920
C 5.495944 1.203506 -0.359106
C -5.497525 -0.073675 -0.978186
H 1.095325 2.790444 1.870257
H 2.234743 1.506390 2.304401
H 2.415406 2.371500 0.757412
H -2.162580 -2.586755 -0.356575
H -2.411450 -1.479910 -1.730361
H -1.065702 -2.639859 -1.745618
H 5.029673 -0.621177 -1.481841
H 4.705801 0.920762 -2.394306
H -5.028549 1.666975 0.269858
H -4.762878 1.931780 -1.511812
H 6.548507 1.311636 -0.649926
H 5.089122 2.210757 -0.206025
H 5.478284 0.689165 0.614059
H -6.560184 0.133239 -1.157383
H -5.106370 -0.589799 -1.863677
H -5.440870 -0.777915 -0.133942


%chk=000236705-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236705

0 1
O 3.511521 0.892013 -0.825089
O -3.524513 0.513527 -0.916668
O 3.324521 -1.419952 -0.541645
O -3.276951 1.121697 1.326014
N 0.492837 -0.897042 -0.865399
N -0.469364 1.276352 0.641319
C 0.878329 1.097124 0.497165
C -0.855021 -0.725585 -0.709856
C 1.347166 0.006865 -0.303166
C -1.325228 0.406264 0.029178
C 1.765444 2.076204 1.227201
C -1.737328 -1.781426 -1.330456
C 2.807066 -0.282849 -0.552060
C -2.785349 0.715297 0.251789
C 4.977413 0.736366 -1.097488
C -4.993298 0.798858 -0.827183
C 5.775762 0.722372 0.209098
C -5.754421 -0.422800 -0.305051
H 1.148268 2.649341 1.935919
H 2.578984 1.566936 1.772489
H 2.243676 2.773532 0.517524
H -2.536468 -2.107644 -0.642715
H -2.234189 -1.391398 -2.235915
H -1.111721 -2.643912 -1.607069
H 5.127949 -0.195016 -1.670864
H 5.213886 1.612329 -1.721795
H -5.137811 1.674322 -0.170196
H -5.267052 1.049577 -1.864144
H 6.857464 0.696074 -0.018995
H 5.572955 1.627918 0.806764
H 5.531144 -0.169352 0.810062
H -6.841089 -0.219303 -0.328385
H -5.557921 -1.309709 -0.932139
H -5.470659 -0.647179 0.736751


