%chk=000209118.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209118

0 1
O -1.676820 -0.611884 -0.576304
O 6.918549 -2.954356 -0.277050
O -1.584627 0.460055 1.433182
N 1.234084 0.330616 0.088796
N 3.911337 -0.776058 -0.083053
C 2.440924 1.218959 0.111158
C 1.523994 -0.896482 -0.728301
C 3.623765 0.448940 0.733667
C 2.699573 -1.660935 -0.092794
C -0.002991 1.008152 -0.428532
C 5.106700 -1.506433 0.444052
C -0.050526 2.500447 -0.179074
C -1.148905 0.309626 0.327205
C 5.736831 -2.279240 -0.729395
C 0.093093 3.374115 -1.267626
C -0.230205 3.019755 1.111605
C 0.055680 4.756218 -1.063310
C -0.268144 4.401898 1.309601
C -2.778156 -1.409267 -0.206438
C -0.124670 5.272037 0.223970
C -4.062601 -0.835347 -0.148830
C -2.542376 -2.780795 -0.010022
C -5.145735 -1.690819 0.096649
C -3.653851 -3.604175 0.229851
C -4.254154 0.631084 -0.328449
C -1.166545 -3.351684 -0.051306
C -4.939152 -3.061095 0.281722
H 2.221542 2.106490 0.745217
H 2.718790 1.589989 -0.899251
H 1.755573 -0.663834 -1.790376
H 0.609688 -1.548874 -0.719167
H 3.396907 0.215186 1.797429
H 4.523963 1.100081 0.718441
H 2.924691 -2.561149 -0.703394
H 2.413312 -2.012885 0.923377
H -0.157569 0.819892 -1.531361
H 4.880973 -2.204660 1.278423
H 5.847109 -0.782924 0.846632
H 5.098004 -3.109932 -1.081090
H 5.980410 -1.616489 -1.577615
H 0.233486 2.982634 -2.273897
H -0.350666 2.335840 1.959196
H 0.166024 5.431941 -1.910032
H -0.412511 4.800465 2.313129
H 7.622350 -2.313308 -0.062402
H -0.155399 6.348974 0.380464
H -6.153652 -1.283784 0.147612
H -3.508069 -4.671713 0.381755
H -3.902668 1.174916 0.566226
H -5.303810 0.907172 -0.486393
H -3.680700 1.012097 -1.185904
H -1.095312 -4.188320 -0.758872
H -0.865235 -3.724744 0.938548
H -0.415322 -2.595164 -0.356627
H -5.791778 -3.712231 0.471961


%chk=000209118-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000209118

0 1
O -1.848840 -0.543771 -0.779578
O 7.547901 -2.654525 0.560294
O -0.941352 -0.576439 1.382864
N 1.578284 0.253031 0.078134
N 4.333109 -0.677740 0.069130
C 2.661192 1.035547 -0.575877
C 1.903695 -1.197979 0.036872
C 4.006503 0.768130 0.116316
C 3.253162 -1.457441 0.724077
C 0.250231 0.571107 -0.498770
C 5.680594 -0.996934 0.595592
C -0.121622 2.049134 -0.306131
C -0.861270 -0.249822 0.185965
C 6.236049 -2.304435 -0.008713
C -0.667050 2.799802 -1.373857
C 0.039526 2.655086 0.965406
C -1.042350 4.148891 -1.178628
C -0.333101 4.002547 1.159428
C -3.064929 -1.209365 -0.379210
C -0.875990 4.753577 0.088844
C -4.050621 -0.489136 0.337070
C -3.226832 -2.544746 -0.819559
C -5.262628 -1.168680 0.618600
C -4.454720 -3.182035 -0.515802
C -3.820638 0.939951 0.784801
C -2.123096 -3.256785 -1.576676
C -5.465078 -2.501450 0.199294
H 2.420686 2.110260 -0.505986
H 2.754500 0.768150 -1.658714
H 1.957258 -1.573146 -1.016260
H 1.119746 -1.757343 0.575019
H 3.947270 1.146731 1.168015
H 4.800975 1.330831 -0.408462
H 3.487057 -2.534966 0.657755
H 3.160703 -1.190817 1.806784
H 0.191571 0.330995 -1.588897
H 5.700566 -1.078737 1.710023
H 6.360934 -0.164975 0.321694
H 5.595875 -3.164850 0.245524
H 6.276752 -2.212015 -1.113317
H -0.800076 2.329074 -2.355347
H 0.462165 2.058790 1.781424
H -1.460347 4.725278 -2.011533
H -0.205120 4.467110 2.143720
H 8.203620 -1.955123 0.311118
H -1.166388 5.799209 0.241462
H -6.048952 -0.640628 1.170281
H -4.612633 -4.216149 -0.842907
H -3.122984 0.974063 1.642611
H -4.767539 1.411088 1.097308
H -3.373826 1.553721 -0.017925
H -2.457873 -4.252274 -1.913592
H -1.227287 -3.396082 -0.941899
H -1.801778 -2.676946 -2.460421
H -6.409807 -3.007774 0.425639


