%chk=000207801.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207801

0 1
O 3.130825 -1.091484 -1.301148
O -4.396371 -0.152051 -3.017737
O -2.849925 0.819891 -1.869346
N 1.478763 0.189489 1.309196
N 1.368277 1.287119 2.126310
N -2.104964 0.741547 1.295603
N -2.724852 -0.147284 0.665023
N -3.924103 0.250295 -1.964370
C 2.816623 -0.331350 0.973760
C 3.243782 0.071282 -0.465254
C 0.245512 -0.245987 0.844048
C -0.714570 0.636475 1.413859
C 4.696680 0.489230 -0.499487
C 0.041854 1.582764 2.213191
C 0.065375 -1.370397 -0.073982
C -0.489116 2.698532 3.017568
C 5.058675 1.728502 0.051095
C 5.670062 -0.336048 -1.074646
C -0.495679 -1.140647 -1.340785
C 0.445174 -2.668282 0.305105
C 6.394536 2.134221 0.024991
C 7.005822 0.077119 -1.099018
C -0.651192 -2.205044 -2.231952
C 0.284305 -3.726026 -0.592905
C 7.369231 1.309835 -0.549512
C -0.257524 -3.495114 -1.862169
C -4.151884 -0.040387 0.538074
C -4.730620 0.042094 -0.747490
C -4.988882 -0.219805 1.659793
C -6.125666 -0.086835 -0.902480
C -6.365278 -0.330978 1.492835
C -6.936704 -0.268708 0.211077
H 2.825629 -1.444290 1.059285
H 3.552918 0.049089 1.726199
H 2.591795 0.876411 -0.879587
H -1.241369 3.271539 2.449406
H -0.989353 2.326225 3.926317
H 0.300701 3.396879 3.335999
H 4.302513 2.373206 0.499471
H 5.374953 -1.294830 -1.508676
H -0.836658 -0.136595 -1.618317
H 0.848788 -2.852932 1.299460
H 2.187400 -1.278527 -1.508513
H 6.677485 3.095236 0.451534
H 7.762085 -0.564014 -1.548982
H -1.090811 -2.026422 -3.214364
H 0.577910 -4.733805 -0.301731
H 8.409268 1.630416 -0.569332
H -0.380625 -4.322645 -2.560181
H -4.544036 -0.270084 2.654720
H -6.555912 -0.043053 -1.909799
H -7.008872 -0.466753 2.364646
H -8.015574 -0.363720 0.091597


%chk=000207801-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207801

0 1
O 3.622516 2.449603 1.129487
O -5.119212 -2.670636 -2.165241
O -3.820096 -0.805505 -2.379825
N 1.198720 1.120117 -0.019639
N 0.947454 2.420789 0.470474
N -2.378722 1.047335 0.516731
N -2.914316 -0.052490 0.046860
N -4.650163 -1.546852 -1.722293
C 2.588191 0.829947 -0.424972
C 3.581151 1.041418 0.758032
C 0.055257 0.353463 -0.118036
C -1.007504 1.217692 0.327150
C 4.980054 0.578411 0.359610
C -0.388562 2.472045 0.686569
C 0.091123 -1.070466 -0.517106
C -1.049232 3.705000 1.223102
C 5.251787 -0.804961 0.205841
C 6.010315 1.518067 0.122458
C -0.733098 -1.561547 -1.563651
C 0.967291 -1.970447 0.154385
C 6.534072 -1.243446 -0.190830
C 7.295008 1.078910 -0.272343
C -0.666402 -2.918898 -1.941817
C 1.021935 -3.329956 -0.219310
C 7.560703 -0.300322 -0.433632
C 0.209779 -3.806719 -1.274611
C -4.275880 -0.251510 0.410457
C -5.104858 -1.087279 -0.397555
C -4.810094 0.206254 1.647873
C -6.393478 -1.482898 0.019894
C -6.106651 -0.157467 2.054045
C -6.900209 -1.012000 1.246686
H 2.865721 1.528979 -1.235362
H 2.630079 -0.199695 -0.807626
H 3.219491 0.426969 1.615353
H -1.797006 4.091837 0.508726
H -1.587500 3.486484 2.162167
H -0.297595 4.488053 1.412520
H 4.464920 -1.545783 0.403740
H 5.787609 2.578501 0.269213
H -1.435065 -0.891633 -2.065063
H 1.572346 -1.612703 0.996652
H 2.680553 2.802156 1.059669
H 6.734304 -2.314768 -0.305360
H 8.089339 1.812937 -0.449812
H -1.310116 -3.281167 -2.749972
H 1.687098 -4.015256 0.317316
H 8.557346 -0.638823 -0.738785
H 0.250866 -4.861940 -1.566373
H -4.170189 0.834877 2.274954
H -6.978322 -2.139615 -0.629786
H -6.500778 0.212862 3.006560
H -7.903578 -1.304623 1.570877


