%chk=000281823.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281823

0 1
O 2.359263 0.780792 2.452730
O 1.428539 -2.550949 -0.370628
O 0.206834 2.083182 -2.169102
O -1.752854 -1.716712 1.091330
O 3.663621 -3.083880 -0.417136
N 4.760362 0.742043 0.544290
N 1.794873 1.144932 0.115111
N -3.518483 -0.399623 -0.325453
N 2.404213 -2.910090 -2.367493
C 3.676461 -0.286910 0.606550
C 2.331922 0.174341 1.179946
C 3.951724 0.496003 -0.686077
C 2.837575 1.530846 -0.883971
C 1.165208 -0.866938 1.387335
C 0.522169 0.736518 -0.251511
C 0.065217 -0.305857 0.519678
C 1.455479 -2.332041 1.077274
C -0.324755 1.356382 -1.349116
C -1.287112 -0.777864 0.468859
C 3.168335 1.961055 2.666169
C -1.733773 0.980784 -1.332851
C -2.228017 0.019791 -0.478553
C -2.563128 1.714041 -2.339722
C 2.609019 -2.886540 -0.992931
C -4.716389 0.182261 -0.976180
C -5.998058 -0.392842 -0.358391
C -6.276879 0.159419 1.046017
C -7.553421 -0.431292 1.637750
H 3.923276 -1.348078 0.745585
H 4.378423 0.050888 -1.584297
H 5.703930 0.345461 0.529677
H 2.434412 1.545212 -1.919869
H 3.188090 2.561241 -0.645974
H 0.865276 -0.801936 2.473607
H 2.408820 -2.691527 1.503306
H 0.607121 -2.971338 1.407494
H 3.055485 2.673544 1.845609
H 4.214319 1.662629 2.785360
H 2.749608 2.355504 3.598739
H -3.307296 2.362365 -1.861164
H -3.068488 1.027571 -3.029143
H -1.933555 2.372675 -2.965889
H -3.692810 -1.179803 0.324495
H -4.688198 -0.043190 -2.068425
H -4.698234 1.293045 -0.871504
H -6.850544 -0.155516 -1.027517
H -5.955762 -1.500457 -0.329657
H 3.079567 -3.392349 -2.944287
H 1.464219 -2.847316 -2.734617
H -5.420642 -0.053101 1.717173
H -6.357326 1.264114 1.007674
H -7.490693 -1.521485 1.734538
H -7.746782 -0.027976 2.639209
H -8.431162 -0.206028 1.021352


%chk=000281823-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281823

0 1
O 2.187679 0.738312 2.485224
O 1.645924 -2.450067 -0.658696
O 0.232669 2.341608 -1.958542
O -1.905021 -1.760798 1.047915
O 3.784587 -3.425572 -0.375293
N 4.698534 0.743152 0.774291
N 1.797666 0.945487 0.049817
N -3.555448 -0.388040 -0.429954
N 2.854759 -3.014503 -2.489595
C 3.657015 -0.373929 0.743970
C 2.254588 0.059591 1.187773
C 4.019168 0.364123 -0.532561
C 2.876894 1.322184 -0.902517
C 1.117462 -1.020504 1.313726
C 0.471802 0.699823 -0.216954
C -0.018178 -0.355065 0.546170
C 1.404814 -2.446045 0.810708
C -0.344474 1.446385 -1.230618
C -1.378000 -0.753623 0.435110
C 2.625913 2.148798 2.560102
C -1.756746 1.101600 -1.333406
C -2.272398 0.075261 -0.519698
C -2.555494 1.899256 -2.353035
C 2.851718 -3.009357 -1.111852
C -4.799164 0.047303 -1.083650
C -6.024683 -0.409750 -0.262534
C -6.139343 0.271631 1.121089
C -7.370947 -0.211827 1.915672
H 3.982691 -1.402948 0.913873
H 4.596104 -0.119463 -1.326047
H 5.650590 0.333216 0.837268
H 2.522816 1.190918 -1.937006
H 3.177839 2.375446 -0.768870
H 0.893211 -1.106730 2.392598
H 2.273913 -2.904228 1.314767
H 0.505310 -3.063415 0.970091
H 2.032230 2.775123 1.867156
H 3.697783 2.244260 2.327366
H 2.413095 2.444408 3.599926
H -3.197619 2.667092 -1.880578
H -3.192496 1.260818 -2.988911
H -1.843171 2.435008 -3.002276
H -3.609742 -1.208739 0.202603
H -4.861729 -0.375192 -2.108234
H -4.803396 1.145951 -1.178323
H -6.934724 -0.193382 -0.856290
H -5.993467 -1.512381 -0.134659
H 3.652629 -3.415202 -2.974292
H 2.037334 -2.696005 -3.005082
H -5.219777 0.080134 1.707669
H -6.193540 1.370075 0.978784
H -7.320758 -1.301154 2.102275
H -7.439604 0.294003 2.895645
H -8.307815 -0.008046 1.363285


