%chk=000270877.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270877

0 1
O -0.390490 1.537449 -1.239660
O -0.504847 -1.387969 0.932017
O -2.388467 -1.293141 -1.098977
O -3.043048 1.977789 0.173575
O -0.889265 -0.750063 3.069679
O -3.231797 -2.787640 0.384648
O -4.209517 3.282237 -1.255043
N 1.391778 0.563910 -0.213569
N 3.117579 1.654007 0.848016
N 2.742966 -1.168686 -1.436423
N 5.141586 -0.976853 -0.974139
N 6.053629 0.657674 0.472445
C -0.934516 -0.096147 0.451362
C -2.368498 -0.242910 -0.093467
C 0.043428 0.265235 -0.696372
C -2.791342 1.010070 -0.886380
C -1.697134 1.506921 -1.840718
C 2.568806 -0.091821 -0.603661
C 1.797497 1.634460 0.661017
C 3.633527 0.592828 0.080038
C -0.559691 -1.622224 2.307276
C -2.792738 -2.569094 -0.715580
C -3.789591 3.105444 -0.138185
C 4.957288 0.104669 -0.133318
C -0.163741 -3.030570 2.547805
C -2.593537 -3.478309 -1.872207
C -3.924859 3.931600 1.087163
C 4.044790 -1.543150 -1.568692
H -0.918558 0.657498 1.279031
H -3.085361 -0.488594 0.727136
H 0.067849 -0.524191 -1.492694
H -3.744060 0.838317 -1.442896
H -1.841572 2.571578 -2.120273
H -1.660393 0.876370 -2.750092
H 1.069135 2.317808 1.079574
H 0.517603 -3.415255 1.770296
H -1.054186 -3.685670 2.546254
H 0.329730 -3.142945 3.526243
H -1.682194 -4.086150 -1.733710
H -2.471262 -2.935676 -2.824394
H -3.440184 -4.175088 -1.979386
H -3.445654 4.915694 0.951198
H -4.986304 4.117934 1.320468
H -3.464757 3.458565 1.972022
H 4.250068 -2.401801 -2.231307
H 6.979316 0.308634 0.281024
H 5.951790 1.469258 1.062756


%chk=000270877-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270877

0 1
O -0.392792 1.659393 -1.217328
O -0.409846 -1.337665 0.995677
O -2.283567 -1.305191 -1.160130
O -2.995799 2.028624 0.219510
O -1.282505 -0.753278 3.081381
O -2.990095 -2.896676 0.404247
O -4.464892 3.170793 -1.185875
N 1.431250 0.603965 -0.166709
N 3.198555 1.494078 0.994061
N 2.663803 -0.987744 -1.627802
N 5.088473 -0.929536 -1.208206
N 6.082535 0.489365 0.400190
C -0.894978 -0.053737 0.456122
C -2.314938 -0.240419 -0.120051
C 0.085809 0.379730 -0.653249
C -2.778005 1.026314 -0.860788
C -1.711839 1.509278 -1.858017
C 2.579793 -0.032419 -0.660123
C 1.866661 1.510649 0.817857
C 3.656618 0.527067 0.075304
C -0.720601 -1.596719 2.353506
C -2.608939 -2.618344 -0.750344
C -3.882276 3.081574 -0.083722
C 4.958612 0.035344 -0.235199
C -0.304303 -2.996238 2.722014
C -2.411198 -3.576152 -1.899860
C -3.980501 4.036898 1.080700
C 3.958506 -1.376385 -1.837820
H -0.950156 0.703838 1.259493
H -3.018540 -0.524154 0.681028
H 0.147014 -0.400634 -1.438581
H -3.731570 0.848344 -1.390479
H -1.960957 2.504070 -2.255110
H -1.651522 0.780257 -2.691865
H 1.177546 2.163746 1.347161
H 0.645146 -3.267075 2.233879
H -1.083629 -3.693853 2.362984
H -0.219435 -3.087704 3.814708
H -1.329221 -3.737065 -2.057653
H -2.822922 -3.159453 -2.833329
H -2.887972 -4.539244 -1.667714
H -3.100387 4.705718 1.081875
H -4.888281 4.649802 0.981775
H -3.985079 3.490816 2.037279
H 4.114754 -2.140642 -2.604916
H 6.987634 0.106050 0.135992
H 6.004838 1.206618 1.118026


