%chk=000234041.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234041

0 1
O 0.005149 2.601581 -0.915684
N -7.702870 -0.813932 -0.030612
N 7.644213 -1.030666 -0.107106
C 0.012727 -0.974891 1.159590
C -1.265955 -0.129075 1.159443
C 1.257096 -0.081994 1.206281
C -1.286197 0.860463 0.033004
C 1.292677 0.863070 0.043594
C 0.003641 1.538167 -0.319627
C -2.383540 1.184515 -0.673943
C 2.391869 1.161911 -0.668335
C -3.729316 0.630197 -0.479526
C 3.726197 0.576086 -0.473428
C -4.398706 0.031484 -1.560537
C 4.794031 1.390451 -0.063694
C -4.382465 0.712970 0.760130
C 3.963741 -0.784142 -0.723626
C -6.339410 -0.412501 -0.156023
C 6.313773 -0.512518 -0.140574
C -5.677474 -0.493210 -1.404913
C 6.068044 0.858119 0.110880
C -5.666072 0.200175 0.926602
C 5.235354 -1.326654 -0.559346
C -8.187725 -1.826367 -1.009558
C -8.179246 -1.118614 1.347285
C 8.619021 -0.290460 0.742029
C 7.773294 -2.503096 0.078892
H 0.008445 -1.666655 2.022274
H 0.041094 -1.612519 0.253984
H -1.359765 0.419524 2.120781
H -2.151818 -0.797260 1.106082
H 2.172949 -0.706858 1.240838
H 1.271134 0.509811 2.147022
H -2.311039 1.927974 -1.482555
H 2.338723 1.910429 -1.473145
H -3.907037 -0.030148 -2.531914
H 4.622128 2.450525 0.126057
H -3.881853 1.194078 1.600961
H 3.143844 -1.421646 -1.055507
H -6.169875 -0.949606 -2.260675
H 6.875982 1.514564 0.426147
H -6.150782 0.293447 1.895660
H 5.392174 -2.381115 -0.774509
H -9.272728 -1.971482 -0.879813
H -7.690417 -2.804609 -0.921086
H -8.037892 -1.447334 -2.036278
H -7.680621 -1.984692 1.809150
H -9.264776 -1.309266 1.325965
H -8.023647 -0.236810 1.994132
H 8.374527 -0.302888 1.815378
H 8.675367 0.760429 0.406419
H 9.624411 -0.721466 0.606336
H 8.832446 -2.792786 -0.017914
H 7.225605 -3.025180 -0.725758
H 7.398769 -2.863933 1.049170


%chk=000234041-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000234041

0 1
O 0.033344 1.322219 -1.603776
N -8.076940 -0.281447 0.171595
N 8.070167 -0.280436 0.472867
C -0.012333 -2.256878 0.489610
C -1.278607 -1.398616 0.678437
C 1.254925 -1.409493 0.716307
C -1.289937 -0.195083 -0.254020
C 1.301714 -0.199197 -0.206573
C 0.016311 0.360259 -0.752096
C -2.431011 0.429810 -0.719364
C 2.459962 0.430402 -0.620679
C -3.845009 0.208698 -0.426223
C 3.862012 0.207367 -0.276600
C -4.808979 0.773670 -1.319667
C 4.857440 0.794208 -1.120330
C -4.370592 -0.492842 0.703985
C 4.346892 -0.517443 0.857270
C -6.703486 -0.111304 -0.018235
C 6.704242 -0.111780 0.233938
C -6.189610 0.618036 -1.140301
C 6.230730 0.639716 -0.891307
C -5.750184 -0.646982 0.908060
C 5.718343 -0.671376 1.110591
C -9.029312 0.291690 -0.788407
C -8.573768 -1.019667 1.339720
C 9.055922 0.320484 -0.435146
C 8.525566 -1.042162 1.642805
H -0.026349 -3.111345 1.193598
H 0.000860 -2.675967 -0.535610
H -1.328854 -1.068288 1.739728
H -2.178886 -2.015797 0.498236
H 2.154957 -2.032627 0.555681
H 1.280215 -1.086530 1.780755
H -2.225052 1.223969 -1.454153
H 2.281910 1.232166 -1.354493
H -4.447794 1.342795 -2.185406
H 4.527245 1.380217 -1.987189
H -3.691682 -0.889175 1.462975
H 3.641525 -0.934326 1.580193
H -6.871868 1.068037 -1.866909
H 6.938594 1.107208 -1.581394
H -6.091678 -1.178152 1.801136
H 6.027499 -1.221836 2.003701
H -10.056296 0.038655 -0.481584
H -8.870555 -0.108398 -1.810245
H -8.951055 1.396972 -0.839255
H -8.188326 -2.059105 1.361563
H -9.673386 -1.067921 1.302433
H -8.286276 -0.529490 2.292536
H 8.970971 1.425998 -0.464723
H 8.941784 -0.057925 -1.471121
H 10.071626 0.067930 -0.092495
H 9.625930 -1.087727 1.645016
H 8.142483 -2.082563 1.628336
H 8.201853 -0.573025 2.594629


