%chk=000203166.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203166

0 1
O -8.762305 0.471955 -0.350577
O -1.823125 1.266491 0.503025
O 4.866202 0.578058 0.894611
O 3.150931 -2.886526 -0.579614
O 5.335805 -1.342592 -0.196503
N -5.949336 0.312831 0.118442
N -1.201174 -0.851222 -0.175757
C -6.872869 0.881452 1.155057
C -6.489919 0.590383 -1.253315
C -4.561698 0.852165 0.274263
C -8.258272 0.238146 0.980090
C -7.883471 -0.048590 -1.367974
C -3.581574 -0.267212 -0.129859
C -2.154949 0.169855 0.111128
C 0.212004 -0.746134 -0.056111
C 6.825358 1.476354 -0.232205
C 8.254021 1.997695 -0.039340
C 0.969040 -1.886585 -0.388705
C 0.851898 0.435611 0.372780
C 6.292405 0.842636 1.049444
C 3.031743 -0.640770 0.133357
C 2.366904 -1.814983 -0.286007
C 2.235800 0.475185 0.463525
C 4.496716 -0.578036 0.216948
C 8.798186 2.625478 -1.320244
H -6.469028 0.633687 2.160033
H -6.962316 1.987742 1.095255
H -5.804934 0.140051 -2.001336
H -6.557117 1.677067 -1.479543
H -4.368358 1.138970 1.332679
H -4.362902 1.766933 -0.325789
H -9.024791 0.719975 1.612061
H -8.231266 -0.849620 1.168432
H -7.839340 -1.148145 -1.277230
H -8.400718 0.241052 -2.299377
H -3.828602 -1.186010 0.447599
H -3.736350 -0.541555 -1.193843
H -1.551283 -1.759176 -0.495342
H 6.795531 0.729168 -1.053068
H 6.152638 2.295694 -0.552797
H 8.278830 2.742223 0.780651
H 8.917013 1.168337 0.279161
H 0.495642 -2.803661 -0.716201
H 6.289379 1.532882 1.911392
H 6.808155 -0.100177 1.303845
H 0.260182 1.319640 0.634778
H 2.736357 1.392758 0.798739
H 9.820569 2.993120 -1.178012
H 8.821353 1.902583 -2.144556
H 8.185720 3.473551 -1.647208
H 2.626915 -3.678038 -0.871781


%chk=000203166-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203166

0 1
O -8.868666 0.387719 -0.457578
O -1.945087 0.932018 1.302497
O 4.937280 0.436716 0.851270
O 3.031534 -2.396700 -1.758599
O 5.313421 -1.228385 -0.740608
N -6.047380 0.376453 0.265697
N -1.263868 -0.747970 -0.192878
C -6.922423 1.544514 0.559605
C -6.541007 -0.334744 -0.943304
C -4.623442 0.774049 0.171604
C -8.376159 1.082802 0.744676
C -8.003328 -0.766753 -0.742581
C -3.672284 -0.440730 0.224126
C -2.227494 -0.003749 0.500286
C 0.152140 -0.653275 -0.130135
C 6.946060 1.601719 -0.068571
C 8.465242 1.841026 0.101447
C 0.897234 -1.539481 -0.947653
C 0.837259 0.273318 0.702028
C 6.411759 0.607391 0.971923
C 3.017716 -0.596856 -0.115322
C 2.310577 -1.518166 -0.948017
C 2.240792 0.279775 0.691257
C 4.504402 -0.537448 -0.077523
C 9.020451 2.846906 -0.929947
H -6.568089 2.030084 1.488265
H -6.883939 2.301871 -0.263540
H -5.926658 -1.237462 -1.118771
H -6.469649 0.314499 -1.853625
H -4.382172 1.414983 1.038197
H -4.414554 1.375217 -0.750333
H -9.051716 1.942325 0.886474
H -8.443288 0.404560 1.622468
H -8.061062 -1.494656 0.095613
H -8.411865 -1.222919 -1.659557
H -4.004343 -1.085298 1.062223
H -3.732912 -1.045391 -0.700994
H -1.630582 -1.464726 -0.823549
H 6.742980 1.207869 -1.082136
H 6.402904 2.561939 0.029597
H 8.670131 2.211441 1.126913
H 9.002091 0.875987 0.002125
H 0.373261 -2.258167 -1.594557
H 6.551231 0.981095 2.000655
H 6.895355 -0.379724 0.855707
H 0.269199 0.959660 1.329839
H 2.779867 0.985086 1.327798
H 10.106279 3.004123 -0.795291
H 8.855515 2.485258 -1.961996
H 8.521133 3.829397 -0.834415
H 2.415753 -2.976502 -2.275808


