%chk=000257748.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257748

0 1
O -1.150534 1.434176 -1.116032
O 1.175989 -1.438830 -1.087761
O -6.423090 0.254739 -0.020153
O 6.423444 -0.259227 0.122487
N -1.856871 -0.558262 2.129366
N 1.811333 0.562603 2.167291
C -0.039958 0.005006 3.729008
C -0.708581 -1.095853 2.886843
C 0.646871 1.102881 2.897687
C -2.815446 0.344263 0.115391
C 2.813608 -0.346644 0.177787
C -2.511414 1.227037 -0.964504
C 2.533271 -1.232212 -0.906218
C -1.695769 -0.234403 0.888949
C 1.677340 0.234657 0.924719
C -4.145971 0.063246 0.389176
C 4.137863 -0.065490 0.480359
C -5.156700 0.646226 -0.412964
C 5.165918 -0.651156 -0.297428
C -3.510550 1.799502 -1.745170
C 3.549262 -1.807284 -1.662850
C -4.856290 1.503789 -1.469107
C 4.888673 -1.511481 -1.357650
C -0.715312 2.274586 -2.209737
C 0.764963 -2.284687 -2.186610
C -7.548170 0.821010 -0.730692
C 7.563781 -0.827813 -0.561381
H 0.704388 -0.468657 4.401684
H -0.798728 0.480995 4.383667
H 0.052542 -1.606669 2.254959
H -1.125709 -1.874836 3.568680
H 1.049097 1.884316 3.585640
H -0.100293 1.611438 2.247576
H -0.750861 -0.320366 0.300368
H 0.745503 0.318696 0.315390
H -4.422835 -0.592098 1.219431
H 4.396501 0.592035 1.314769
H -3.274847 2.473571 -2.563079
H 3.331502 -2.483417 -2.484022
H -5.633840 1.950097 -2.080663
H 5.679423 -1.959841 -1.950494
H 0.377135 2.231308 -2.101081
H -1.082483 3.295597 -2.072073
H -1.030155 1.851637 -3.167357
H 1.100694 -1.866278 -3.139123
H 1.129135 -3.304947 -2.036028
H -0.329606 -2.241128 -2.102149
H -8.396623 0.360337 -0.207381
H -7.526816 0.519272 -1.781440
H -7.564131 1.908603 -0.616997
H 8.400602 -0.366138 -0.020517
H 7.565949 -0.528793 -1.613120
H 7.576693 -1.915113 -0.444547


%chk=000257748-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257748

0 1
O -1.754533 -1.154979 -1.668041
O 1.785542 1.140319 -1.626241
O -5.902956 1.958623 0.547132
O 5.899290 -1.947688 0.687311
N -1.827766 -0.494511 2.378834
N 1.770204 0.484819 2.422264
C -0.048151 -0.006811 4.045499
C -0.740338 -1.088698 3.184136
C 0.663972 1.076943 3.202975
C -2.861883 -0.123159 0.205017
C 2.855610 0.117051 0.273157
C -2.822574 -0.361672 -1.206847
C 2.847365 0.353836 -1.139495
C -1.813478 -0.683841 1.085077
C 1.785092 0.674198 1.128547
C -3.913259 0.657102 0.734104
C 3.898680 -0.657145 0.827030
C -4.911289 1.200077 -0.103944
C 4.918686 -1.195346 0.012716
C -3.819912 0.182415 -2.044815
C 3.866785 -0.185308 -1.953720
C -4.865672 0.964303 -1.499465
C 4.904071 -0.960887 -1.383697
C -1.663297 -1.401743 -3.104805
C 1.727235 1.385823 -3.064950
C -6.958698 2.535516 -0.283687
C 6.977645 -2.518845 -0.118049
H 0.693182 -0.499360 4.702868
H -0.804748 0.484367 4.686335
H 0.021800 -1.616366 2.565779
H -1.200364 -1.830481 3.867019
H 1.107758 1.817260 3.898115
H -0.083676 1.605998 2.568288
H -1.021180 -1.268738 0.577600
H 1.003199 1.256962 0.602850
H -3.940217 0.834408 1.813138
H 3.901836 -0.833215 1.906598
H -3.802091 0.006881 -3.124381
H 3.872887 -0.010575 -3.033539
H -5.626666 1.374539 -2.169953
H 5.682729 -1.367315 -2.035971
H -0.764923 -2.023894 -3.232436
H -1.547984 -0.455786 -3.671069
H -2.550709 -1.949386 -3.479283
H 2.620042 1.938705 -3.418318
H 1.631623 0.438791 -3.633083
H 0.828307 2.002253 -3.214523
H -7.614501 3.073736 0.416561
H -7.539419 1.749489 -0.806574
H -6.547456 3.246526 -1.028007
H 7.620687 -3.051628 0.598015
H 7.565051 -1.729811 -0.628771
H 6.588360 -3.233755 -0.870404


