%chk=000231709.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231709

0 1
O -0.098346 -0.186914 -0.038813
O 1.678688 -1.639413 -1.813628
O 1.551893 -3.955159 0.294124
O -0.247423 1.151730 1.775900
N 3.194938 1.308141 0.139192
N -6.330022 0.696329 -0.392092
C 1.355344 -0.305216 0.146420
C 2.016733 0.834651 -0.648632
C 1.716905 -1.711918 -0.369029
C 4.301129 1.786827 -0.738785
C 2.788724 2.310991 1.179469
C 0.721232 -2.780224 0.109630
C 3.985651 2.991139 -1.631043
C 3.864433 2.407350 2.261852
C -0.804594 0.597592 0.850057
C 2.426301 -2.692679 -2.457125
C -2.229930 0.620744 0.496087
C 0.841448 -5.078240 0.843258
C -3.126044 1.288828 1.353563
C -2.709816 -0.000233 -0.672570
C -4.479883 1.341230 1.055564
C -4.060505 0.041907 -0.988531
C -4.959370 0.710405 -0.120201
H 1.571215 -0.232345 1.241642
H 2.340018 0.454983 -1.647059
H 1.264714 1.624939 -0.858428
H 2.754326 -1.967135 -0.037162
H 5.164968 2.025375 -0.077967
H 4.620646 0.925113 -1.366993
H 1.830260 1.967856 1.644206
H 2.585902 3.315243 0.750294
H -0.043900 -2.986887 -0.658646
H 0.234430 -2.514486 1.061903
H 4.864311 3.289498 -2.212259
H 3.181544 2.773227 -2.341803
H 3.673359 3.859916 -1.040182
H 3.495534 2.971263 3.125105
H 4.771362 2.901242 1.898463
H 4.155590 1.409147 2.614997
H 3.497916 -2.506759 -2.341088
H 2.118953 -2.602751 -3.504173
H 2.153297 -3.672575 -2.045767
H 1.620603 -5.847604 0.908052
H 0.039273 -5.393765 0.170138
H 0.452146 -4.839293 1.837447
H -2.738798 1.769070 2.258333
H -2.001312 -0.514275 -1.332399
H -5.166428 1.852200 1.724146
H -4.424757 -0.442821 -1.889503
H -6.643613 0.442655 -1.314042
H -6.932545 1.338300 0.095276


%chk=000231709-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231709

0 1
O -0.347749 -0.110268 -0.074553
O 1.639270 -1.512550 -1.711134
O 1.770612 -3.838141 0.306329
O -0.680015 1.234711 1.811761
N 3.160175 1.264937 0.070225
N -6.685692 0.673699 -0.644386
C 1.116361 -0.119477 0.220655
C 1.791268 1.089884 -0.466434
C 1.680404 -1.470892 -0.241318
C 4.200483 1.523916 -0.953603
C 3.203622 2.128073 1.278126
C 0.916233 -2.643766 0.385360
C 4.139323 2.906696 -1.660047
C 4.482398 1.939840 2.115451
C -1.149774 0.641947 0.801369
C 2.659984 -2.382822 -2.306587
C -2.571779 0.630266 0.396733
C 1.106236 -5.019388 0.851037
C -3.517619 1.314192 1.208512
C -3.027877 -0.037767 -0.773121
C -4.877739 1.332198 0.871063
C -4.386862 -0.025288 -1.120375
C -5.337614 0.659911 -0.302996
H 1.238129 -0.029057 1.316703
H 1.832194 0.887081 -1.549917
H 1.153434 1.987192 -0.306189
H 2.737258 -1.499469 0.103658
H 5.193025 1.400932 -0.480450
H 4.116367 0.724459 -1.714524
H 2.325636 1.866088 1.897755
H 3.083308 3.209954 1.020621
H -0.033072 -2.804714 -0.166104
H 0.677599 -2.424097 1.450885
H 4.936307 2.981724 -2.423680
H 3.168057 3.052816 -2.167685
H 4.279783 3.737325 -0.944442
H 4.413117 2.523587 3.051898
H 5.386565 2.280085 1.578452
H 4.616327 0.874271 2.374138
H 3.680022 -2.067554 -1.998064
H 2.553186 -2.266114 -3.397667
H 2.511804 -3.438023 -2.014037
H 1.821151 -5.852203 0.756579
H 0.179071 -5.262200 0.288835
H 0.844308 -4.879786 1.922093
H -3.156931 1.827823 2.106113
H -2.300070 -0.558191 -1.402321
H -5.595777 1.863637 1.507362
H -4.726257 -0.542217 -2.026326
H -7.017136 0.200876 -1.480432
H -7.364551 1.163065 -0.068125


