%chk=000203095.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203095

0 1
O -2.731358 -1.937265 0.838457
O -2.757566 -1.809863 -1.413700
N 0.784153 0.147911 -0.352585
N 4.412591 0.146324 -1.473376
C -2.164809 0.196262 -0.089173
C -1.209499 0.258859 1.120788
C -1.422371 0.737123 -1.334856
C 0.116219 -0.466051 0.841385
C -0.084923 0.020247 -1.568071
C -3.449082 0.995855 0.101930
C 2.129449 -0.465990 -0.588720
C -2.575128 -1.265754 -0.348233
C 3.021443 0.606622 -1.257335
C -4.511261 0.806946 -0.800864
C -3.589417 1.936563 1.130087
C -5.692123 1.538196 -0.666800
C -4.774714 2.668579 1.261689
C -5.828648 2.471401 0.366945
C -3.214769 -3.318464 0.789967
C 5.275146 -0.032825 -0.360168
C -4.711852 -3.326301 0.563123
C 5.084929 0.665774 0.851075
C 6.406581 -0.868373 -0.516069
C 6.021807 0.536694 1.875473
C 7.329259 -0.979393 0.521897
C 7.143767 -0.283912 1.721826
H -1.694859 -0.187558 2.012417
H -0.996277 1.320960 1.363220
H -1.246528 1.823668 -1.196166
H -2.056919 0.630695 -2.237088
H 0.791543 -0.337318 1.716145
H -0.063892 -1.557658 0.728779
H -0.271745 -1.037458 -1.861817
H 0.443275 0.501840 -2.420022
H 2.586645 -0.761005 0.382272
H 2.095038 -1.387769 -1.205192
H 2.606703 0.903915 -2.246056
H 3.022416 1.534017 -0.637706
H -4.416886 0.084552 -1.615057
H -2.778502 2.113879 1.836019
H -6.508684 1.382010 -1.370407
H -4.872125 3.395703 2.066574
H 4.482746 -0.582647 -2.185053
H -6.750057 3.040669 0.471168
H -2.661363 -3.858319 0.001442
H -2.923210 -3.674623 1.794557
H -5.226583 -2.647643 1.256468
H -5.134656 -4.328356 0.697902
H -4.961261 -2.995052 -0.456037
H 4.221905 1.314156 0.981797
H 6.567441 -1.409086 -1.443555
H 5.875360 1.083055 2.807079
H 8.203830 -1.617531 0.396898
H 7.866819 -0.378659 2.525925


%chk=000203095-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203095

0 1
O -2.949328 -1.994796 0.827493
O -2.894933 -1.782553 -1.487577
N 0.816051 -0.039731 -0.284054
N 4.460893 -0.267517 -1.399214
C -2.162596 0.132448 -0.067402
C -1.209739 0.158574 1.157451
C -1.364326 0.641669 -1.307612
C 0.097102 -0.608678 0.884775
C -0.032945 -0.110498 -1.501667
C -3.437960 0.995626 0.133269
C 2.150351 -0.651683 -0.476408
C -2.680315 -1.299429 -0.349566
C 3.084644 0.229077 -1.351489
C -4.395426 1.074394 -0.914084
C -3.686549 1.717143 1.327317
C -5.560178 1.858125 -0.775706
C -4.851933 2.505788 1.466582
C -5.793598 2.582139 0.416817
C -3.602804 -3.334535 0.679991
C 5.406105 -0.094850 -0.381328
C -5.120710 -3.178932 0.556747
C 5.133992 0.676355 0.788830
C 6.697427 -0.691062 -0.514186
C 6.127901 0.842249 1.777103
C 7.676027 -0.519223 0.482881
C 7.404098 0.249608 1.641114
H -1.707202 -0.269319 2.044644
H -0.948236 1.212216 1.370678
H -1.157961 1.717221 -1.155338
H -1.972456 0.532166 -2.221821
H 0.756640 -0.531240 1.768968
H -0.130587 -1.697428 0.740067
H -0.244448 -1.173345 -1.785037
H 0.509391 0.349977 -2.346762
H 2.623331 -0.767557 0.516357
H 2.088439 -1.676134 -0.926309
H 2.705252 0.276456 -2.388473
H 3.059839 1.262691 -0.957553
H -4.235459 0.505597 -1.837532
H -2.978193 1.669014 2.159054
H -6.285411 1.902531 -1.596115
H -5.023044 3.058364 2.397595
H 4.727562 -0.858871 -2.184713
H -6.696532 3.193125 0.526457
H -3.174970 -3.838026 -0.204679
H -3.311912 -3.865115 1.600666
H -5.529337 -2.617456 1.414254
H -5.597249 -4.176758 0.535396
H -5.386107 -2.649883 -0.373741
H 4.156689 1.150237 0.926087
H 6.925244 -1.286642 -1.408268
H 5.897297 1.442073 2.665740
H 8.659041 -0.987684 0.354475
H 8.167124 0.381684 2.415027


