%chk=000228375.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228375

0 1
O 0.909893 3.263689 -0.253710
N -0.007906 1.221878 0.112846
N -3.275566 -0.660533 0.170416
N 3.242130 -0.638054 -0.231017
C -1.088412 0.349310 0.623619
C 1.138233 0.557879 -0.564827
C -2.168133 0.121957 -0.462279
C 2.281568 0.290490 0.442220
C -4.615199 -0.271832 -0.358850
C -3.019203 -2.136720 0.088516
C 4.660226 -0.210226 -0.064765
C 2.998885 -2.062754 0.167710
C -0.024135 2.620136 0.203454
C -4.848014 -0.505366 -1.853758
C -3.872041 -2.875950 1.120517
C 5.207397 -0.215509 1.365667
C 3.652984 -3.012536 -0.837386
C -1.200996 3.271424 0.875154
H -0.656807 -0.623090 0.949337
H -1.553742 0.789767 1.533438
H 0.800586 -0.382916 -1.045985
H 1.516475 1.219452 -1.381492
H -1.725609 -0.371190 -1.352408
H -2.546267 1.103815 -0.819369
H 1.883232 -0.103640 1.398571
H 2.766938 1.260338 0.692745
H -4.766155 0.803855 -0.115653
H -5.377629 -0.829188 0.231527
H -1.943439 -2.316422 0.309506
H -3.207307 -2.548943 -0.926933
H 4.747024 0.812147 -0.499293
H 5.283050 -0.871515 -0.708149
H 1.899777 -2.236312 0.169719
H 3.359963 -2.289371 1.194584
H -4.149790 0.066937 -2.473634
H -4.733364 -1.561794 -2.122212
H -5.861058 -0.205161 -2.143972
H -3.785132 -2.408724 2.110775
H -4.934951 -2.869381 0.854429
H -3.557622 -3.920511 1.213343
H 4.636437 0.448350 2.023654
H 5.181870 -1.217785 1.806670
H 6.248600 0.124456 1.386532
H 3.404170 -2.725323 -1.868070
H 4.745698 -3.003294 -0.757056
H 3.314624 -4.041752 -0.683315
H -1.245878 3.034258 1.946087
H -1.112825 4.366892 0.790018
H -2.159683 2.983962 0.425978


%chk=000228375-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228375

0 1
O 1.114970 3.245633 -0.356155
N -0.026266 1.270567 0.080313
N -3.302804 -0.688569 0.143933
N 3.270875 -0.628904 -0.174192
C -1.166962 0.515128 0.636130
C 1.071738 0.498279 -0.548998
C -2.256340 0.192692 -0.423531
C 2.264018 0.278327 0.419462
C -4.688888 -0.334049 -0.255937
C -2.959338 -2.129924 0.043950
C 4.677958 -0.205235 0.025190
C 2.982687 -2.061177 0.074309
C 0.091829 2.656884 0.122683
C -5.059538 -0.577540 -1.744778
C -3.809706 -3.026502 0.962745
C 5.223597 -0.290239 1.477994
C 3.765856 -3.014423 -0.847983
C -1.041123 3.448926 0.778918
H -0.783438 -0.430917 1.063431
H -1.633832 1.067443 1.467734
H 0.666839 -0.474646 -0.883322
H 1.440307 1.044736 -1.432434
H -1.767298 -0.247174 -1.325858
H -2.719123 1.141705 -0.753379
H 1.877716 -0.097177 1.399096
H 2.721740 1.265054 0.609401
H -4.835862 0.736182 -0.014563
H -5.390178 -0.892318 0.391499
H -1.897163 -2.235343 0.337913
H -3.027389 -2.504003 -1.008986
H 4.756773 0.839386 -0.330184
H 5.321888 -0.806864 -0.643088
H 1.900310 -2.212714 -0.105561
H 3.160497 -2.349901 1.142311
H -4.389326 -0.017600 -2.422877
H -4.998698 -1.648319 -2.011126
H -6.095271 -0.242049 -1.939074
H -3.761559 -2.660850 2.003700
H -4.870112 -3.051309 0.653883
H -3.432879 -4.065417 0.935679
H 4.615035 0.322267 2.168684
H 5.230169 -1.329452 1.855318
H 6.262394 0.087813 1.516927
H 3.606140 -2.738149 -1.905298
H 4.851590 -2.989236 -0.645310
H 3.425102 -4.055692 -0.698617
H -1.027882 3.325200 1.878176
H -0.875199 4.511868 0.549187
H -2.040958 3.152805 0.415584


