%chk=000216383.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216383

0 1
O 0.859095 -1.406480 -0.110858
O -5.187684 0.580832 0.400634
N 4.693450 0.402431 0.170546
N 1.072910 0.770325 -0.755025
C 3.278656 0.830969 0.407059
C 5.665817 1.469878 0.580337
C 5.000158 -0.907375 0.838288
C 2.539083 0.658683 -0.941059
C 7.018103 1.231581 -0.094450
C 4.197936 -2.043745 0.207462
C 0.327953 -0.322949 -0.308428
C -1.134346 -0.076500 -0.137026
C -2.027853 -1.030179 -0.643381
C -1.621694 1.048210 0.553097
C -3.873858 0.272922 0.179069
C -3.406565 -0.862341 -0.499588
C -2.986964 1.235223 0.714830
C -6.215747 -0.347064 -0.084657
C -7.506197 0.316421 0.350910
H 3.206117 1.882027 0.748950
H 2.773910 0.218438 1.187601
H 5.264948 2.452691 0.245550
H 5.795905 1.535257 1.682244
H 4.817039 -0.877399 1.934762
H 6.086916 -1.107993 0.700076
H 2.878394 1.415805 -1.676397
H 2.780751 -0.344182 -1.372893
H 7.684678 2.087775 0.046081
H 6.891989 1.072395 -1.174446
H 7.522350 0.341995 0.299869
H 4.456903 -3.005792 0.659219
H 4.387216 -2.114195 -0.870495
H 3.108740 -1.909110 0.325878
H 0.648978 1.674205 -0.916009
H -1.636528 -1.916171 -1.152045
H -0.925208 1.773436 0.976451
H -4.084400 -1.606509 -0.902382
H -3.391053 2.094106 1.245591
H -6.120926 -0.425645 -1.181056
H -6.052456 -1.326989 0.395650
H -8.380054 -0.273617 0.051563
H -7.540286 0.446183 1.442218
H -7.606877 1.320543 -0.085238


%chk=000216383-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216383

0 1
O 0.765052 -1.388725 -0.334697
O -5.331507 0.747970 0.217223
N 4.753453 0.307355 0.300963
N 1.120206 0.870418 -0.719703
C 3.310871 0.598334 0.489807
C 5.663748 1.353886 0.833316
C 5.134833 -1.074078 0.696868
C 2.575391 0.689832 -0.874999
C 7.044816 1.368200 0.147884
C 4.457466 -2.162286 -0.158476
C 0.294630 -0.205790 -0.434282
C -1.172412 0.079178 -0.266854
C -2.061432 -1.022368 -0.309056
C -1.714411 1.376389 -0.045176
C -3.975086 0.450349 0.050421
C -3.451610 -0.852494 -0.158244
C -3.097562 1.563776 0.111795
C -6.299193 -0.370112 0.181814
C -7.682303 0.238975 0.392911
H 3.174891 1.550573 1.041312
H 2.816332 -0.192594 1.089340
H 5.180271 2.333430 0.657127
H 5.801119 1.260929 1.942256
H 4.902819 -1.257477 1.778587
H 6.230640 -1.167385 0.586759
H 2.982139 1.528999 -1.466392
H 2.758421 -0.244277 -1.431317
H 7.649140 2.216097 0.521528
H 6.923174 1.471610 -0.944751
H 7.616138 0.442890 0.342009
H 4.793157 -3.163250 0.171921
H 4.729252 -2.037471 -1.222288
H 3.355859 -2.132895 -0.076929
H 0.715931 1.793550 -0.872384
H -1.630801 -2.018149 -0.457728
H -1.063721 2.254890 0.043800
H -4.107658 -1.726450 -0.202119
H -3.523145 2.555346 0.293039
H -6.229422 -0.884729 -0.798233
H -6.050227 -1.095630 0.982905
H -8.451723 -0.554150 0.376991
H -7.734973 0.758463 1.364769
H -7.913263 0.966972 -0.403213


