%chk=000217116.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217116

0 1
O -2.375277 -0.940701 -1.668755
O 0.729417 -1.720597 2.541332
O 5.977024 0.225052 -0.704897
N 0.592833 -0.321215 0.685570
N -4.034873 -1.090306 -0.123048
N -6.645564 0.125579 -0.388020
C -0.467224 0.347832 -0.137364
C -1.813636 -0.099942 0.522134
C -1.446298 -1.110254 1.619353
C -0.295409 1.874850 -0.120920
C -2.745205 -0.707534 -0.526760
C 0.072014 -1.125839 1.714069
C -1.225197 2.552888 -1.134964
C 1.986034 -0.197164 0.361406
C -4.988313 -1.553066 -1.173870
C -4.735950 -0.516495 1.053778
C -5.946047 -0.419232 -1.593014
C -5.673665 0.635265 0.627408
C -1.048857 4.068893 -1.128942
C 2.954413 -0.341099 1.370208
C 2.381886 0.060691 -0.970028
C 4.311418 -0.213867 1.065798
C 3.727803 0.197209 -1.279940
C 4.687639 0.059741 -0.254581
C 7.067486 0.060291 0.257552
C 8.307036 0.282118 -0.586949
H -0.409844 -0.040162 -1.193774
H -2.312118 0.790036 0.976525
H -1.884014 -0.850715 2.600234
H -1.805019 -2.136556 1.392818
H 0.759432 2.135800 -0.351681
H -0.464890 2.277981 0.895622
H -2.280774 2.297410 -0.920457
H -1.024931 2.156801 -2.152087
H -5.562665 -2.410253 -0.755575
H -4.418094 -1.924927 -2.057432
H -4.019484 -0.170338 1.823941
H -5.339240 -1.335267 1.517126
H -6.724592 -0.828371 -2.274624
H -5.386295 0.352993 -2.163861
H -6.259198 0.981283 1.507865
H -5.075899 1.500690 0.270352
H -7.269050 0.889317 -0.673970
H -1.710250 4.547404 -1.860391
H -0.021477 4.356879 -1.383523
H -1.273906 4.502102 -0.148002
H 2.649397 -0.573289 2.395953
H 1.638307 0.143167 -1.763028
H 5.046026 -0.333723 1.855595
H 4.059429 0.398605 -2.296670
H 6.948685 0.817339 1.051248
H 7.012343 -0.958784 0.677376
H 8.302190 1.280319 -1.046747
H 8.358969 -0.440939 -1.413422
H 9.220573 0.184600 0.009634


%chk=000217116-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217116

0 1
O -2.480207 -1.103191 -1.828227
O 0.825162 -2.013742 2.414421
O 6.138261 0.375313 -0.592995
N 0.649335 -0.491697 0.588877
N -4.144860 -0.731768 -0.251191
N -6.748651 0.384868 0.007092
C -0.416822 0.093782 -0.286001
C -1.745268 -0.366288 0.390602
C -1.348610 -1.558515 1.301055
C -0.316278 1.634396 -0.387276
C -2.813592 -0.750053 -0.649242
C 0.155819 -1.395154 1.539702
C -1.392406 2.250548 -1.312142
C 2.042898 -0.269859 0.331232
C -5.204979 -1.087597 -1.226138
C -4.674202 -0.375223 1.083206
C -6.218349 0.070239 -1.338662
C -5.689940 0.783670 0.955560
C -1.217949 3.776056 -1.470385
C 3.004161 -0.360420 1.368502
C 2.487358 0.026004 -0.988228
C 4.375137 -0.157018 1.100526
C 3.849624 0.236588 -1.256953
C 4.804621 0.148197 -0.214316
C 7.173976 0.272265 0.452754
C 8.515274 0.535210 -0.226951
H -0.370195 -0.357683 -1.297163
H -2.099403 0.467579 1.023830
H -1.890263 -1.594530 2.260495
H -1.503147 -2.530240 0.794419
H 0.682683 1.919750 -0.766402
H -0.398316 2.066687 0.631646
H -2.405497 2.037642 -0.913852
H -1.347397 1.760653 -2.304593
H -5.728085 -1.998146 -0.874260
H -4.717269 -1.295237 -2.191422
H -3.859828 -0.097798 1.768190
H -5.199135 -1.255553 1.504964
H -7.053422 -0.238497 -1.992781
H -5.704179 0.940393 -1.816585
H -6.142536 0.983490 1.943888
H -5.134802 1.701365 0.633311
H -7.542568 1.035337 -0.010725
H -1.993301 4.203538 -2.132243
H -0.230738 4.018513 -1.906569
H -1.285334 4.290029 -0.492726
H 2.680507 -0.615024 2.379184
H 1.772953 0.071144 -1.816107
H 5.088985 -0.240874 1.925034
H 4.196163 0.460492 -2.270371
H 6.972508 1.019499 1.248311
H 7.143341 -0.740719 0.904853
H 8.530124 1.539895 -0.682925
H 8.700844 -0.208470 -1.020538
H 9.334895 0.472650 0.511915


