%chk=000182162.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182162

0 1
O -0.241950 1.967453 0.152702
O 4.204384 0.214903 -0.472272
O 0.865847 -2.846811 0.149146
O 2.252217 2.523643 -0.507237
O -1.569386 -1.504600 1.612362
N -3.964363 -0.566306 -0.640680
C 0.158792 -0.453251 0.358246
C -2.124080 0.529190 0.545818
C 0.611990 0.877246 0.120369
C -1.215643 -0.593973 0.887538
C 1.072112 -1.513552 0.170122
C -3.594049 0.217560 0.587685
C 2.436731 -1.207105 -0.081501
C -1.618907 1.735649 0.226521
C 1.938573 1.220361 -0.179684
C 2.841751 0.141085 -0.241115
C 3.635088 -2.006131 -0.238816
C -2.297670 3.022862 -0.048132
C 4.658225 -1.137416 -0.462239
C -4.015439 0.305734 -1.850350
C -5.276342 -1.250003 -0.435400
C -0.474073 -3.413170 0.156827
C 3.242855 3.117446 0.379043
H -4.196828 1.140055 0.722101
H -3.785474 -0.427994 1.482908
H 3.659332 -3.079390 -0.176827
H -1.570155 3.819041 -0.293921
H -2.874768 3.369833 0.823263
H -2.989719 2.941309 -0.900798
H 5.708573 -1.198367 -0.635485
H -3.013250 0.731130 -2.023037
H -4.745815 1.125405 -1.803947
H -4.251443 -0.316315 -2.729113
H -5.507634 -1.854773 -1.326999
H -6.126610 -0.580689 -0.242910
H -5.183199 -1.951750 0.410513
H -1.134905 -2.878990 -0.531949
H -0.867027 -3.386257 1.185484
H -0.275311 -4.437254 -0.179093
H 2.860116 3.155152 1.401221
H 3.349606 4.121179 -0.046668
H 4.181345 2.556959 0.318503


%chk=000182162-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182162

0 1
O -0.310805 1.946938 0.115895
O 4.285272 0.288060 0.142363
O 0.900953 -2.901759 0.426676
O 2.213361 2.633225 -0.036805
O -1.759894 -1.759249 1.192866
N -4.228004 -0.449599 -0.648706
C 0.137639 -0.480177 0.372147
C -2.207713 0.476668 0.453482
C 0.593359 0.875080 0.200327
C -1.304138 -0.675913 0.689680
C 1.116766 -1.528827 0.364913
C -3.691339 0.189639 0.579902
C 2.481902 -1.158678 0.304878
C -1.691721 1.724910 0.192171
C 1.957871 1.271808 0.112253
C 2.874160 0.204358 0.200232
C 3.704880 -1.943731 0.305323
C -2.415255 3.026978 -0.013623
C 4.750856 -1.056782 0.213995
C -4.381385 0.480332 -1.778381
C -5.437135 -1.252769 -0.391547
C -0.197057 -3.529848 -0.339699
C 3.613565 3.075518 -0.177433
H -4.264549 1.108041 0.860963
H -3.803579 -0.540533 1.400865
H 3.766726 -3.026279 0.377367
H -2.095007 3.490502 -0.964024
H -2.162743 3.737830 0.794345
H -3.504913 2.884742 -0.035285
H 5.831811 -1.162358 0.190972
H -3.415508 0.968109 -1.998112
H -5.142459 1.284759 -1.593799
H -4.691367 -0.078318 -2.679781
H -5.731362 -1.784407 -1.314737
H -6.316760 -0.647225 -0.051862
H -5.217867 -2.008061 0.383109
H -0.353537 -2.999039 -1.297436
H -1.123052 -3.508927 0.253550
H 0.148989 -4.559027 -0.525289
H 4.203182 2.818844 0.719550
H 3.543926 4.167441 -0.290292
H 4.085426 2.626822 -1.068813


