%chk=000208469.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208469

1 1
O 0.598857 0.137415 1.699569
O -2.165396 -0.786615 2.555275
N -2.769334 0.738161 -0.903914
N -1.341410 -2.428420 1.203621
C -2.562568 -0.782506 -0.969131
C -3.397245 -1.553550 0.056503
C -2.370843 1.279021 0.447743
C -4.216537 1.082331 -1.179215
C -1.899726 1.379408 -1.965979
C -2.661777 -2.781949 0.629271
C 1.329766 2.509160 0.574355
C 1.391505 1.213002 -0.209474
C -1.198754 -1.394154 2.123855
C 1.088239 -0.023683 0.410352
C 0.241992 -1.017185 2.485756
C 0.598466 3.613874 -0.198616
C 2.751458 2.949461 0.942407
C 1.843634 1.167073 -1.530726
C 1.241530 -1.247765 -0.240834
C 1.701757 -1.259074 -1.571207
C 1.973040 -0.045231 -2.216377
C 1.916384 -2.553160 -2.278053
H -2.801718 -1.133098 -1.999082
H -1.469426 -0.982144 -0.821294
H -3.680082 -0.903874 0.924425
H -4.355588 -1.889907 -0.389394
H -2.903135 0.757496 1.281298
H -1.288821 1.127244 0.659161
H -2.578444 2.357344 0.545240
H -4.886881 0.687626 -0.391543
H -4.377482 2.176553 -1.214200
H -4.560331 0.667442 -2.143999
H -2.143770 1.012663 -2.978592
H -2.014206 2.479538 -1.978785
H -0.820911 1.174288 -1.786433
H -3.302482 -3.237233 1.427119
H -2.514680 -3.559313 -0.152700
H -0.536697 -2.943746 0.850277
H 0.769195 2.325980 1.531457
H 0.984186 -1.826145 2.398277
H 0.278673 -0.598942 3.520259
H 1.131360 3.895330 -1.114923
H 0.533974 4.527870 0.408975
H -0.417637 3.326660 -0.468838
H 3.276852 2.170186 1.508742
H 2.741878 3.851914 1.565492
H 3.359548 3.171672 0.058260
H 2.118039 2.098090 -2.034280
H 1.086773 -2.188394 0.276105
H 2.335265 -0.044065 -3.244156
H 1.726344 -2.485019 -3.359151
H 2.968892 -2.875486 -2.173920
H 1.300473 -3.373247 -1.890379


%chk=000208469-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208469

1 1
O 1.207549 0.034223 1.946553
O -1.677216 -0.134830 2.252718
N -2.913720 0.256046 -1.454751
N -1.429381 -2.361290 1.616961
C -2.642366 -1.149695 -0.851522
C -3.484529 -1.474910 0.394678
C -2.324736 1.349807 -0.554082
C -4.408925 0.487499 -1.643756
C -2.221407 0.328950 -2.816230
C -2.850438 -2.592142 1.272447
C 1.628297 2.653405 1.072654
C 1.517556 1.500117 0.074488
C -0.949433 -1.165435 2.122309
C 1.307196 0.166185 0.541143
C 0.549619 -1.149778 2.495999
C 1.305705 4.036331 0.463101
C 3.045583 2.661019 1.718229
C 1.660861 1.665116 -1.323114
C 1.245140 -0.932231 -0.347919
C 1.416727 -0.746057 -1.746444
C 1.609483 0.572733 -2.223876
C 1.453363 -1.940948 -2.685001
H -2.832625 -1.870009 -1.667502
H -1.563738 -1.160078 -0.617546
H -3.587876 -0.586402 1.036621
H -4.495198 -1.820003 0.110317
H -2.627848 1.184350 0.489425
H -1.226313 1.304486 -0.613573
H -2.684328 2.325755 -0.916009
H -4.897440 0.558008 -0.662190
H -4.552906 1.429639 -2.194795
H -4.835768 -0.349223 -2.218358
H -2.693445 -0.392864 -3.500813
H -2.327893 1.349349 -3.215960
H -1.153081 0.095333 -2.684342
H -3.456333 -2.668495 2.195310
H -2.905527 -3.568437 0.758521
H -0.795918 -3.162357 1.571487
H 0.904941 2.449971 1.886554
H 1.068877 -2.083701 2.199909
H 0.643576 -1.027011 3.587413
H 2.067795 4.349798 -0.274613
H 1.295417 4.800458 1.260352
H 0.316703 4.053293 -0.033934
H 3.263191 1.699548 2.213238
H 3.113269 3.461299 2.477178
H 3.822954 2.845778 0.953995
H 1.825644 2.671808 -1.720563
H 1.130445 -1.953462 0.032698
H 1.759864 0.745748 -3.296063
H 1.200305 -1.656175 -3.721437
H 2.467447 -2.383050 -2.713647
H 0.763080 -2.744572 -2.367660


