%chk=000208380.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208380

0 1
O 6.252095 0.876910 -0.711351
O 0.772894 -2.890789 0.588734
N 3.524576 0.739238 0.125065
N 0.083246 -0.710089 0.588564
N -0.848739 0.245881 0.414016
C 2.042712 0.679997 -0.083005
C 1.453486 -0.229682 1.025479
C 4.201807 -0.444966 -0.501332
C 4.094622 2.007587 -0.437719
C 5.706513 -0.359516 -0.204933
C 5.603958 2.033284 -0.144461
C 1.368212 0.477674 2.372722
C -0.155391 -2.120740 0.411750
C -1.536092 -2.469845 0.023759
C -2.082948 -0.107824 0.067351
C -2.463750 -1.491862 -0.135550
C -1.825982 -3.927405 -0.184591
C -3.082442 0.970074 -0.116199
C -1.939242 -4.267539 -1.669608
C -4.314896 0.893847 0.552668
C -2.805126 2.058599 -0.956986
C -5.265741 1.900604 0.370804
C -3.763104 3.060980 -1.133570
C -4.993041 2.982864 -0.473143
H 1.602761 1.697789 0.004110
H 1.752966 0.306988 -1.088497
H 2.083690 -1.161812 1.129057
H 4.037140 -0.508674 -1.598478
H 3.778245 -1.370886 -0.052373
H 3.600703 2.867214 0.063269
H 3.922333 2.113943 -1.530151
H 5.916247 -0.427779 0.877038
H 6.285749 -1.118759 -0.758518
H 6.114427 2.867121 -0.656629
H 5.808378 2.063532 0.940426
H 0.696400 1.345511 2.347803
H 1.012285 -0.191752 3.163652
H 2.365682 0.842110 2.662229
H -3.491890 -1.712657 -0.426068
H -1.019247 -4.543905 0.277122
H -2.758961 -4.208480 0.346107
H -2.146782 -5.334480 -1.813238
H -1.005713 -4.042839 -2.201545
H -2.741072 -3.703569 -2.158835
H -4.524867 0.058867 1.218948
H -1.842992 2.122325 -1.464126
H -6.221129 1.843724 0.890423
H -3.548415 3.905679 -1.786593
H -5.737269 3.764909 -0.612896


%chk=000208380-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208380

0 1
O 6.210006 1.028685 -0.909470
O 0.657659 -3.073990 0.604672
N 3.432533 0.697276 -0.122404
N 0.026207 -0.802836 0.601185
N -0.863548 0.224610 0.433893
C 1.981315 0.459614 -0.268317
C 1.422865 -0.374377 0.917923
C 4.260966 -0.466626 -0.535845
C 3.897623 1.929230 -0.810702
C 5.742127 -0.191853 -0.230283
C 5.382342 2.173229 -0.493569
C 1.481987 0.389446 2.250856
C -0.259773 -2.200394 0.462735
C -1.669905 -2.501625 0.172983
C -2.146123 -0.082708 0.147300
C -2.568783 -1.457883 0.029916
C -2.051196 -3.957752 0.039664
C -3.077769 1.065778 -0.025759
C -1.560122 -4.573375 -1.300185
C -4.343595 0.905421 -0.652932
C -2.707806 2.361248 0.431888
C -5.214981 2.004760 -0.811425
C -3.577556 3.457576 0.271622
C -4.838433 3.286041 -0.349248
H 1.457975 1.433266 -0.282835
H 1.734430 -0.062820 -1.225681
H 1.980310 -1.322661 1.000340
H 4.142909 -0.673935 -1.629328
H 3.936811 -1.369103 0.013797
H 3.298757 2.788560 -0.454421
H 3.771724 1.855546 -1.920237
H 5.882080 -0.086264 0.867303
H 6.383719 -1.003962 -0.610028
H 5.773179 3.038946 -1.053537
H 5.503690 2.346180 0.597897
H 0.794880 1.253807 2.234337
H 1.209119 -0.263558 3.098364
H 2.513073 0.754286 2.396210
H -3.623750 -1.683370 -0.155756
H -1.587692 -4.524826 0.868733
H -3.148965 -4.064343 0.122109
H -1.850593 -5.637587 -1.360123
H -0.460990 -4.511867 -1.366987
H -1.999012 -4.045961 -2.166419
H -4.651447 -0.071111 -1.041929
H -1.733064 2.486580 0.912400
H -6.184406 1.861105 -1.301349
H -3.276643 4.446690 0.634605
H -5.515839 4.138308 -0.471264


