%chk=000297666.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297666

0 1
O -3.679823 -2.490435 0.058863
O -1.531645 -2.307701 0.100398
O -5.774052 3.295954 -0.113871
O -6.586005 1.290089 -0.084261
N -0.383586 0.009751 0.061175
N 0.691534 0.879345 0.058614
N -2.666675 -1.816932 0.064648
N -5.656787 2.081318 -0.083365
C 2.551123 -3.655643 0.294834
C 2.798110 -4.177758 -1.132696
C 3.748079 -3.990117 1.202928
C 1.252789 -4.253339 0.868023
C 2.387724 -2.200887 0.235736
C -1.659945 0.520877 0.030392
C 1.910465 0.381768 0.114533
C 2.203767 -1.007325 0.187330
C 3.041943 1.344817 0.101483
C -2.788189 -0.371011 0.028690
C -1.910227 1.935731 -0.002384
C -4.097482 0.161062 -0.009156
C -4.296813 1.532116 -0.042990
C -3.185044 2.428914 -0.037988
C 4.175162 1.087523 0.891495
C 2.985510 2.501529 -0.691916
C 5.242826 1.987024 0.885555
C 4.060829 3.394410 -0.693853
C 5.187848 3.139452 0.093179
H 2.938508 -5.264776 -1.133973
H 3.692337 -3.730597 -1.581064
H 1.951615 -3.959920 -1.794953
H 4.682176 -3.569421 0.814111
H 3.886051 -5.074613 1.284314
H 3.607609 -3.603351 2.218616
H 1.085042 -3.947712 1.906730
H 1.279019 -5.348354 0.850047
H 0.366082 -3.942357 0.295413
H -1.048264 2.613574 0.004949
H -4.961167 -0.529638 -0.011410
H -0.237134 -1.034032 0.095302
H -3.383709 3.509071 -0.062786
H 4.219094 0.189794 1.508484
H 2.104384 2.703521 -1.302691
H 6.120686 1.790737 1.499896
H 4.017853 4.291742 -1.310225
H 6.023883 3.838001 0.090342


%chk=000297666-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297666

0 1
O -3.439762 -2.696328 -0.126671
O -1.195120 -2.339284 0.047596
O -5.856412 3.073858 -0.608639
O -6.577789 0.904774 -0.567481
N -0.246849 0.091538 0.012168
N 0.774099 1.018962 0.051599
N -2.430471 -1.897569 -0.078747
N -5.644690 1.798760 -0.529902
C 2.347101 -3.615584 0.432896
C 1.738150 -4.226241 -0.868070
C 3.831636 -4.060259 0.590994
C 1.510493 -4.082456 1.665399
C 2.285316 -2.137898 0.344997
C -1.555334 0.494284 -0.119095
C 2.013592 0.512938 0.181940
C 2.243363 -0.900247 0.274390
C 3.147575 1.464849 0.228208
C -2.644989 -0.456713 -0.165987
C -1.884789 1.887686 -0.214606
C -3.982764 -0.023482 -0.300669
C -4.249826 1.346568 -0.389055
C -3.202607 2.311988 -0.346708
C 4.478198 0.980290 0.355885
C 2.928813 2.869118 0.146467
C 5.565107 1.877732 0.400608
C 4.016037 3.761531 0.191364
C 5.339659 3.271101 0.318605
H 1.789903 -5.328836 -0.809695
H 2.297250 -3.898288 -1.762330
H 0.680613 -3.931611 -0.979975
H 4.437431 -3.738283 -0.274603
H 3.880057 -5.162335 0.657547
H 4.278335 -3.637612 1.508448
H 1.905705 -3.651333 2.602320
H 1.559168 -5.184089 1.741010
H 0.453292 -3.786479 1.554043
H -1.059335 2.600638 -0.179357
H -4.792453 -0.756758 -0.334501
H -0.076693 -0.935204 0.077618
H -3.457453 3.372351 -0.419633
H 4.651215 -0.099730 0.418739
H 1.904094 3.238684 0.049026
H 6.585651 1.492301 0.499004
H 3.837163 4.840363 0.127930
H 6.183817 3.968509 0.353422


