%chk=000216717.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216717

2 1
O 1.327132 1.156960 0.151024
O 0.713119 -1.017985 0.299198
N -3.413895 0.061852 -0.458936
N 4.924841 -0.080311 -0.056039
C -3.829481 0.609602 0.917980
C -4.347849 -1.144169 -0.703248
C -5.312537 0.255365 1.087397
C -5.641659 -0.835838 0.056958
C -1.960611 -0.404727 -0.477049
C -3.651810 1.104780 -1.526501
C -0.942404 0.714609 -0.248166
C 0.403244 0.127628 0.095866
C 3.443446 0.088419 -0.381317
C 2.647318 0.865324 0.677558
C 5.610658 1.265093 0.017721
C 5.100301 -0.811581 1.255713
C 5.562917 -0.896715 -1.162651
H -3.217464 0.130031 1.714588
H -3.653795 1.704007 0.982591
H -4.520083 -1.298728 -1.790334
H -3.875981 -2.076133 -0.316765
H -5.520212 -0.092079 2.122152
H -5.964367 1.142737 0.950373
H -6.452747 -0.509675 -0.626523
H -6.038745 -1.749924 0.549278
H -1.825959 -1.204461 0.301069
H -1.754478 -0.907886 -1.456050
H -3.096181 2.039498 -1.334359
H -4.727512 1.381243 -1.577488
H -3.367127 0.742289 -2.531983
H -0.840505 1.375390 -1.143822
H -1.243302 1.408912 0.573305
H 2.973513 -0.923839 -0.512917
H 3.334280 0.601701 -1.369976
H 2.541484 0.309248 1.629275
H 3.030508 1.891737 0.861193
H 5.482916 1.848710 -0.915125
H 5.235065 1.885586 0.852295
H 6.704959 1.159180 0.175665
H 4.755666 -0.215683 2.120805
H 4.549985 -1.773330 1.271304
H 6.166357 -1.054445 1.450405
H 6.648155 -1.049815 -0.986958
H 5.470873 -0.404919 -2.150416
H 5.113069 -1.905159 -1.248794


%chk=000216717-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216717

2 1
O 1.360579 1.189403 0.131066
O 0.647395 -0.984109 0.600614
N -3.451348 0.004991 -0.387311
N 5.012970 -0.052758 -0.108706
C -3.961708 0.642004 0.931154
C -4.368376 -1.244871 -0.524305
C -5.493671 0.440275 0.911505
C -5.755626 -0.790918 -0.020515
C -1.982592 -0.433360 -0.316181
C -3.694629 0.946472 -1.563930
C -0.977838 0.726239 -0.166068
C 0.391618 0.177647 0.222793
C 3.531530 0.218699 -0.455295
C 2.707292 0.865141 0.678659
C 5.767340 1.255058 0.152794
C 5.132110 -0.970024 1.113054
C 5.650236 -0.754359 -1.316753
H -3.484141 0.082742 1.753744
H -3.650504 1.697093 0.975521
H -4.347816 -1.587678 -1.570867
H -3.930669 -2.025518 0.120245
H -5.859997 0.262695 1.934817
H -6.011638 1.337985 0.537694
H -6.421898 -0.522299 -0.855716
H -6.242127 -1.615919 0.523067
H -1.892541 -1.123362 0.539744
H -1.778086 -1.010699 -1.234500
H -3.159650 1.892871 -1.398742
H -4.771713 1.149742 -1.645153
H -3.339807 0.465390 -2.488516
H -0.867689 1.324575 -1.086779
H -1.279209 1.429089 0.634469
H 3.087824 -0.753670 -0.727875
H 3.528015 0.877857 -1.340118
H 2.587092 0.189573 1.542483
H 3.099991 1.842790 0.995386
H 5.651932 1.918655 -0.717759
H 5.371368 1.740501 1.056161
H 6.832476 1.023255 0.303968
H 4.787899 -0.438662 2.012119
H 4.522795 -1.871590 0.948009
H 6.188378 -1.251474 1.240111
H 6.712836 -0.941465 -1.100400
H 5.559602 -0.105864 -2.201473
H 5.133094 -1.709645 -1.493922


