%chk=000236263.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236263

0 1
O -0.531864 -0.091923 -1.930571
N 0.297121 -3.142725 1.072378
C 0.450999 -0.838725 0.189706
C -0.616381 0.071761 -0.491472
C 0.261764 -2.330974 -0.190123
C 1.863078 -0.387883 -0.113061
C -2.053558 -0.240936 -0.076274
C -0.313166 1.542545 -0.234664
C 2.730981 -0.079782 0.946392
C 2.328870 -0.290502 -1.433578
C -3.089826 0.231959 -0.898461
C -0.533105 2.082843 1.041181
C -2.368872 -0.946400 1.090647
C 0.187741 2.355698 -1.259445
C 1.694493 -3.539272 1.416338
C -0.570092 -4.352776 0.951701
C 4.048912 0.306735 0.686549
C 3.645967 0.096471 -1.688846
C -4.422868 -0.008824 -0.562101
C -0.249860 3.428647 1.286551
C -3.705654 -1.185190 1.426947
C 0.467553 3.702272 -1.009260
C 4.511180 0.391596 -0.629945
C -4.733491 -0.719240 0.602958
C 0.250640 4.240194 0.262742
H 0.279120 -0.744319 1.300248
H 1.026975 -2.644056 -0.931339
H -0.721484 -2.469896 -0.689113
H -0.893836 -0.960492 -2.195958
H 2.378365 -0.132316 1.974918
H 1.644824 -0.492642 -2.260354
H -2.840892 0.796323 -1.800140
H -0.931553 1.458617 1.839531
H -1.575998 -1.325467 1.742595
H 0.359588 1.928847 -2.250390
H 2.327652 -2.637299 1.467997
H 2.163448 -4.241531 0.711933
H 1.696550 -3.998404 2.417440
H -0.546863 -4.905584 1.904797
H -0.289874 -5.047764 0.147306
H -1.612514 -4.031632 0.791815
H 4.715034 0.546329 1.513185
H 3.998427 0.172889 -2.715704
H -5.220475 0.361631 -1.203457
H -0.420607 3.845956 2.276848
H -3.942544 -1.734951 2.336161
H 0.858178 4.330523 -1.807353
H 5.536655 0.692087 -0.830469
H -5.772696 -0.904770 0.867356
H 0.470959 5.287654 0.456763


%chk=000236263-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236263

0 1
O -0.582778 -0.124666 -2.004196
N 0.235265 -3.246306 1.015629
C 0.433894 -0.874317 0.157073
C -0.649693 0.057944 -0.525538
C 0.187980 -2.378891 -0.190209
C 1.861000 -0.413845 -0.145938
C -2.095464 -0.246456 -0.066799
C -0.314520 1.536994 -0.257941
C 2.642571 0.194606 0.869149
C 2.441977 -0.580630 -1.430494
C -3.152605 0.394957 -0.768409
C -0.563029 2.091166 1.022573
C -2.418415 -1.094479 1.023459
C 0.274918 2.346783 -1.256743
C 1.598212 -3.386283 1.575944
C -0.390551 -4.564119 0.771414
C 3.965089 0.621359 0.617571
C 3.764273 -0.155232 -1.687697
C -4.497125 0.194665 -0.393578
C -0.222087 3.432013 1.303379
C -3.767755 -1.291397 1.400671
C 0.611167 3.690630 -0.977467
C 4.534005 0.445168 -0.664556
C -4.811343 -0.649825 0.697974
C 0.368247 4.238685 0.302444
H 0.275899 -0.771462 1.247721
H 0.920750 -2.712139 -0.964664
H -0.820997 -2.509131 -0.624593
H -1.125629 -0.920794 -2.233080
H 2.204456 0.347273 1.863801
H 1.844264 -1.016361 -2.237612
H -2.905712 1.065135 -1.599039
H -1.044041 1.480644 1.796317
H -1.629966 -1.627740 1.568435
H 0.460054 1.916532 -2.244083
H 2.020821 -2.395106 1.806356
H 2.304219 -3.898903 0.875637
H 1.552438 -3.970287 2.512690
H -0.393901 -5.150286 1.707945
H 0.136262 -5.168831 -0.009223
H -1.438603 -4.425098 0.449807
H 4.548355 1.091678 1.417533
H 4.192839 -0.288265 -2.688024
H -5.297872 0.701821 -0.943832
H -0.424869 3.848935 2.296621
H -3.999965 -1.950171 2.245383
H 1.068108 4.308111 -1.759422
H 5.560413 0.773721 -0.864063
H -5.854802 -0.803375 0.995636
H 0.631244 5.280876 0.516945


