%chk=000257058.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257058

0 1
O -2.166710 1.901429 1.483021
O -2.566224 -1.701267 0.257299
O -2.493545 1.368713 -0.730764
O -1.655769 -2.014818 -1.831517
N -0.421640 1.100980 0.327620
N -0.323526 -1.947763 0.095856
C 1.486551 -0.263462 -0.625863
C 2.548777 -0.122340 -1.782905
C 0.351143 0.770801 -0.895868
C 0.921286 -1.711248 -0.671925
C 2.189038 0.062650 0.690184
C 1.922040 -0.295210 -3.170290
C 3.712269 -1.102879 -1.600309
C 2.687441 1.363999 0.894693
C 2.370072 -0.888666 1.703587
C 3.336453 1.702490 2.082729
C 3.019404 -0.547913 2.895214
C -1.759858 1.452656 0.234689
C -1.527061 -1.872803 -0.632558
C 3.502655 0.747216 3.091187
C -3.579827 2.254308 1.623180
C -3.903613 -1.520487 -0.319419
C -3.860776 3.576384 0.941561
C -4.416114 -2.816815 -0.905892
H 2.967646 0.915120 -1.722147
H -0.352153 0.372229 -1.671587
H 0.782542 1.707866 -1.317481
H 1.681717 -2.431193 -0.287643
H 0.740353 -1.999293 -1.743259
H 2.692787 -0.363895 -3.947068
H 1.270303 0.541653 -3.442440
H 1.315604 -1.211403 -3.238943
H 4.525188 -0.876956 -2.300898
H 3.415652 -2.141137 -1.782913
H 4.135925 -1.050503 -0.589784
H 0.092336 1.288211 1.188873
H -0.337923 -1.562480 1.044437
H 2.572710 2.120560 0.119107
H 2.017966 -1.913212 1.577146
H 3.715621 2.713936 2.224309
H 3.147713 -1.300727 3.672502
H 4.006251 1.011618 4.018779
H -3.661288 2.302132 2.725212
H -4.188146 1.427301 1.216958
H -3.838185 -0.699303 -1.060825
H -4.457766 -1.196674 0.580083
H -3.756548 3.485408 -0.151962
H -3.161930 4.356807 1.267693
H -4.877981 3.928089 1.147298
H -4.350568 -3.642344 -0.186630
H -3.820335 -3.110066 -1.786977
H -5.459158 -2.728196 -1.228349


%chk=000257058-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257058

0 1
O -2.070936 2.136631 1.311106
O -2.750167 -1.645664 0.263631
O -2.263664 1.576516 -0.977718
O -1.884794 -2.221032 -1.860528
N -0.197136 1.600948 0.149562
N -0.525763 -1.401867 -0.125445
C 1.542295 -0.056339 -0.734991
C 2.711060 -0.035964 -1.812976
C 0.629640 1.200750 -0.992775
C 0.712139 -1.361924 -0.912530
C 2.180846 0.052055 0.673783
C 2.218733 0.085512 -3.277946
C 3.676611 -1.240025 -1.681340
C 2.851841 1.250908 1.048674
C 2.150287 -1.003058 1.623380
C 3.466663 1.389778 2.311245
C 2.765248 -0.869818 2.890252
C -1.562026 1.756036 0.051961
C -1.720331 -1.792755 -0.687291
C 3.426965 0.326255 3.242539
C -3.547324 2.317025 1.369007
C -4.114064 -1.985812 -0.225770
C -3.956831 3.710429 0.882154
C -4.387827 -3.488161 -0.103891
H 3.297846 0.879773 -1.587506
H -0.065285 0.995337 -1.823765
H 1.271655 2.051061 -1.302575
H 1.345588 -2.240549 -0.681164
H 0.404289 -1.465479 -1.966755
H 3.091240 0.177781 -3.950998
H 1.580872 0.971261 -3.442351
H 1.651918 -0.806547 -3.600585
H 4.562002 -1.082278 -2.324136
H 3.199403 -2.181883 -2.009371
H 4.030090 -1.373655 -0.643786
H 0.244482 1.804986 1.047891
H -0.549055 -1.020764 0.820749
H 2.900921 2.090544 0.344137
H 1.653426 -1.948838 1.383928
H 3.975356 2.325980 2.567567
H 2.724343 -1.703354 3.600589
H 3.901790 0.430019 4.224223
H -3.784182 2.164898 2.434740
H -4.019514 1.526157 0.759466
H -4.206296 -1.645145 -1.271756
H -4.778235 -1.391806 0.423844
H -3.722187 3.828625 -0.188825
H -3.434590 4.496643 1.454888
H -5.046086 3.850354 1.015943
H -4.235800 -3.833360 0.933826
H -3.720672 -4.056199 -0.773555
H -5.433985 -3.704482 -0.391755


