%chk=000216622.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216622

0 1
O 2.105916 1.879696 -0.372694
N -2.080607 1.002222 0.648229
N 1.395443 -0.286121 -0.335609
N 7.642940 -1.207504 0.890564
C -3.223070 0.137218 0.179534
C -4.361532 -1.102221 -1.719091
C -4.473686 -2.029401 0.621303
C -5.758257 0.051449 0.033470
C -3.143792 -0.241044 -1.327640
C -3.261238 -1.166703 1.026676
C -4.547036 0.913493 0.440019
C -4.373794 -2.395195 -0.875352
C -5.660582 -0.307568 -1.465042
C -5.777047 -1.242818 0.873903
C -0.759758 0.328459 0.753999
C -1.994689 2.320696 -0.067900
C -0.013415 0.089632 -0.581352
C -0.963447 3.251631 0.567440
C 2.377243 0.700123 -0.203389
C 3.746259 0.190193 0.105506
C 4.814774 0.627267 -0.694350
C 3.984624 -0.665052 1.185983
C 6.119240 0.203086 -0.444316
C 5.280033 -1.096311 1.462605
C 6.355359 -0.677092 0.650364
C 7.239484 0.668646 -1.316647
H -4.293513 -1.365019 -2.798526
H -4.478869 -2.960733 1.230832
H -6.693886 0.625967 0.216557
H -2.207610 -0.793468 -1.533344
H -3.110141 0.668323 -1.950730
H -3.317436 -0.906626 2.099764
H -2.329279 -1.744649 0.896828
H -4.556084 1.867561 -0.118020
H -4.607587 1.187951 1.509247
H -3.461670 -2.985750 -1.065563
H -5.223416 -3.035107 -1.169582
H -6.538270 -0.900720 -1.774058
H -5.674869 0.608955 -2.079431
H -5.876356 -1.000747 1.946282
H -6.654557 -1.858370 0.612575
H -0.126068 0.965348 1.417068
H -0.882367 -0.634628 1.294134
H -3.001670 2.796554 -0.005143
H -1.766482 2.198107 -1.150458
H -0.514952 -0.705522 -1.177890
H -0.032477 1.021531 -1.199623
H -1.078174 4.273717 0.192940
H 0.071002 2.940398 0.342832
H -1.066637 3.281529 1.658684
H 1.595433 -1.264077 -0.172693
H 4.611060 1.316955 -1.517951
H 3.162866 -0.986726 1.826124
H 5.458271 -1.763622 2.302047
H 7.762346 -0.179232 -1.783725
H 6.886974 1.309502 -2.137564
H 7.975232 1.259249 -0.754205
H 7.810104 -1.574407 1.816583
H 8.426818 -0.672727 0.545996


%chk=000216622-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216622

0 1
O 2.206654 1.548339 -0.831642
N -2.005948 1.060296 0.217927
N 1.415964 -0.592826 -0.421794
N 7.778505 -1.163503 1.044000
C -3.230897 0.202823 0.035406
C -4.815867 -1.021196 -1.580443
C -4.391459 -1.982212 0.722142
C -5.766864 0.119731 0.473902
C -3.522929 -0.167121 -1.461134
C -3.101712 -1.123892 0.840658
C -4.472093 0.966276 0.603239
C -4.646590 -2.332318 -0.768530
C -6.020589 -0.217539 -1.020247
C -5.603841 -1.193963 1.281574
C -0.700245 0.426745 0.475686
C -1.936683 2.274256 -0.639200
C 0.028657 -0.226976 -0.749567
C -0.961650 3.348743 -0.112899
C 2.435706 0.349591 -0.449807
C 3.802713 -0.105327 -0.035364
C 4.896956 0.750424 -0.330243
C 4.072130 -1.320259 0.648985
C 6.223095 0.430325 0.010076
C 5.386112 -1.667576 1.006012
C 6.477326 -0.808363 0.689309
C 7.371219 1.365136 -0.322175
H -4.995638 -1.264331 -2.647105
H -4.251407 -2.914896 1.304536
H -6.621418 0.700550 0.874724
H -2.661998 -0.724086 -1.882714
H -3.636934 0.757690 -2.060124
H -2.901880 -0.887586 1.904803
H -2.247511 -1.721241 0.464059
H -4.611972 1.925080 0.067450
H -4.268053 1.214466 1.662622
H -3.799185 -2.922922 -1.172768
H -5.555964 -2.959545 -0.860822
H -6.952754 -0.808964 -1.124167
H -6.158058 0.715479 -1.603296
H -5.446698 -0.963046 2.354264
H -6.524084 -1.807788 1.207108
H -0.017602 1.200959 0.866681
H -0.800774 -0.324761 1.276764
H -2.949707 2.713169 -0.678973
H -1.658008 2.039877 -1.695960
H -0.501712 -1.134794 -1.090869
H 0.058340 0.497462 -1.582737
H -1.099418 4.284338 -0.686890
H 0.093508 3.044450 -0.227683
H -1.162261 3.562325 0.952915
H 1.625294 -1.557354 -0.168445
H 4.670394 1.694157 -0.839275
H 3.262720 -1.999233 0.945318
H 5.576974 -2.604661 1.543682
H 8.115854 0.885495 -0.990041
H 7.004718 2.268731 -0.835672
H 7.908347 1.699605 0.589052
H 7.962834 -2.037448 1.527823
H 8.563481 -0.554489 0.836071


