%chk=000231865.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231865

0 1
O 1.789751 1.614149 0.623144
O 1.813008 -0.485402 -0.222316
N -2.127629 0.049307 -0.188656
N 7.755193 0.275068 2.204888
C -3.446378 0.531255 0.331730
C -2.175651 -1.070617 -1.180563
C -4.235191 -0.500322 1.170424
C -4.302528 1.063615 -0.842408
C -2.314606 -2.488305 -0.575555
C -0.909000 -0.985204 -2.062335
C -5.475811 0.132176 1.817305
C -5.799897 1.105491 -0.506662
C -2.345387 -3.547937 -1.684670
C -0.938384 -2.050197 -3.164164
C -1.117488 -0.137396 0.897045
C -6.050189 1.297029 0.993808
C -1.097767 -3.458737 -2.574756
C -0.525224 1.226121 1.299189
C 0.391827 1.797043 0.223703
C 2.401368 0.410991 0.348286
C 3.792653 0.412736 0.826675
C 4.576037 -0.738264 0.612409
C 4.349694 1.524479 1.484604
C 5.895077 -0.783903 1.040450
C 5.667516 1.499108 1.920581
C 6.450538 0.337900 1.705381
H -3.207707 1.402960 1.002654
H -3.073212 -0.881885 -1.835803
H -4.533594 -1.350190 0.524785
H -3.582269 -0.929028 1.952822
H -3.937638 2.070028 -1.117708
H -4.146447 0.437342 -1.747102
H -1.474015 -2.696061 0.111434
H -3.237311 -2.552970 0.031097
H -0.831592 0.024484 -2.505161
H 0.003969 -1.106985 -1.437587
H -5.228236 0.492013 2.833611
H -6.249373 -0.647150 1.952856
H -6.281786 0.165622 -0.839744
H -6.287608 1.917009 -1.077715
H -3.255418 -3.421052 -2.301457
H -2.416747 -4.556255 -1.236418
H -0.006068 -1.994863 -3.757086
H -1.764238 -1.842275 -3.870272
H -1.540010 -0.639014 1.793642
H -0.289618 -0.791488 0.522218
H -5.595499 2.250477 1.324579
H -7.134129 1.394825 1.187044
H -1.156761 -4.205742 -3.386673
H -0.198018 -3.715265 -1.982222
H 0.039010 1.118999 2.247321
H -1.342522 1.945520 1.509920
H 0.233102 1.334645 -0.768195
H 0.342533 2.897175 0.151652
H 4.129714 -1.597114 0.100030
H 3.731076 2.413113 1.646804
H 6.491185 -1.676795 0.876951
H 6.088993 2.358819 2.432722
H 8.215758 1.128329 2.474412
H 8.372044 -0.445412 1.868252


%chk=000231865-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231865

0 1
O 1.770184 1.614098 0.797585
O 1.869613 -0.489559 -0.221229
N -2.188138 -0.104839 -0.002953
N 7.957421 0.333950 1.913812
C -3.518694 0.436532 0.387923
C -2.177616 -1.204792 -1.016014
C -4.549007 -0.593669 0.942701
C -4.159796 1.262060 -0.772865
C -2.111703 -2.652116 -0.435378
C -1.042646 -0.993590 -2.051577
C -5.767929 0.134141 1.583396
C -5.705800 1.375144 -0.649756
C -2.149383 -3.716485 -1.561147
C -1.068989 -2.065990 -3.168044
C -1.207444 -0.194998 1.103166
C -6.132847 1.453180 0.833883
C -1.007602 -3.495331 -2.580007
C -0.615355 1.187757 1.480090
C 0.330114 1.771622 0.411665
C 2.435085 0.445968 0.408961
C 3.857905 0.452229 0.818755
C 4.661805 -0.676453 0.500083
C 4.452660 1.540823 1.513447
C 6.015755 -0.722648 0.859309
C 5.806889 1.505830 1.877547
C 6.614142 0.371810 1.556038
H -3.320258 1.140761 1.222373
H -3.139028 -1.129328 -1.567005
H -4.889992 -1.250121 0.118228
H -4.065560 -1.248524 1.693107
H -3.700671 2.269607 -0.778597
H -3.896459 0.798899 -1.742248
H -1.169496 -2.776618 0.135594
H -2.945832 -2.816172 0.272989
H -1.152918 0.018719 -2.487004
H -0.063103 -1.018084 -1.536248
H -5.550091 0.362979 2.645261
H -6.638757 -0.550137 1.583902
H -6.190070 0.493652 -1.115932
H -6.065362 2.260666 -1.208639
H -3.124785 -3.659942 -2.089585
H -2.084026 -4.731717 -1.121930
H -0.225606 -1.901315 -3.866794
H -2.002262 -1.960366 -3.761816
H -1.647726 -0.654612 2.021979
H -0.375044 -0.845033 0.785068
H -5.619121 2.314864 1.305934
H -7.218154 1.651725 0.920837
H -1.063509 -4.249712 -3.389410
H -0.032417 -3.636772 -2.070346
H -0.061675 1.115519 2.437403
H -1.442720 1.902466 1.655218
H 0.154280 1.296766 -0.569083
H 0.227181 2.865013 0.324023
H 4.196577 -1.510577 -0.035897
H 3.837052 2.410718 1.759019
H 6.622568 -1.600353 0.605715
H 6.253521 2.353178 2.411950
H 8.388142 1.110339 2.407743
H 8.535799 -0.469161 1.684001


