%chk=000259168.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259168

0 1
O 2.619379 -1.460013 -0.076580
O -2.619373 1.460049 -0.076689
N 4.563646 -0.111822 0.370986
N -4.563643 0.111881 0.370929
C 0.423726 -0.567323 -0.059821
C -0.423721 0.567360 -0.059857
C 1.840372 -0.320461 -0.061266
C -1.840367 0.320498 -0.061307
C 2.373622 0.955664 -0.037386
C -2.373617 -0.955627 -0.037368
C 3.861024 1.166762 0.022338
C -3.861021 -1.166720 0.022345
C -0.128222 -1.884613 -0.056877
C 0.128228 1.884650 -0.056974
C 1.488052 2.071310 -0.041321
C -1.488048 -2.071273 -0.041232
C 4.021723 -1.259314 -0.405536
C -4.021715 1.259334 -0.405648
C 6.036164 0.008791 0.177038
C -6.036161 -0.008740 0.176986
H 4.214080 1.620904 -0.930796
H 4.101865 1.887923 0.840525
H -4.214064 -1.620902 -0.930775
H -4.101874 -1.887847 0.840559
H 0.563777 -2.727797 -0.057656
H -0.563772 2.727833 -0.057807
H 1.910199 3.074830 -0.026108
H -1.910194 -3.074792 -0.025971
H 4.075089 -1.156702 -1.507707
H 4.470522 -2.210817 -0.051834
H -4.075070 1.156665 -1.507814
H -4.470517 2.210855 -0.052000
H 6.412621 0.826924 0.815050
H 6.357045 0.201774 -0.857443
H 6.523444 -0.915188 0.531583
H -6.412620 -0.826840 0.815038
H -6.357042 -0.201774 -0.857486
H -6.523440 0.915258 0.531484


%chk=000259168-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259168

0 1
O 2.665767 -1.503469 -0.141156
O -2.665760 1.503502 -0.141259
N 4.587560 -0.110804 0.309559
N -4.587559 0.110860 0.309507
C 0.435238 -0.575739 -0.116417
C -0.435232 0.575773 -0.116450
C 1.856244 -0.349278 -0.115755
C -1.856238 0.349312 -0.115793
C 2.400818 0.944178 -0.089880
C -2.400813 -0.944142 -0.089858
C 3.906273 1.159853 -0.008297
C -3.906269 -1.159813 -0.008280
C -0.124523 -1.893840 -0.123352
C 0.124528 1.893874 -0.123447
C 1.509152 2.061467 -0.107940
C -1.509147 -2.061432 -0.107851
C 4.071459 -1.210413 -0.491900
C -4.071449 1.210429 -0.492003
C 6.050951 -0.025339 0.402657
C -6.050950 0.025401 0.402592
H 4.283216 1.610908 -0.965086
H 4.130776 1.886514 0.795883
H -4.283202 -1.610914 -0.965051
H -4.130781 -1.886434 0.795933
H 0.550059 -2.753331 -0.129803
H -0.550054 2.753364 -0.129950
H 1.935957 3.072238 -0.093326
H -1.935952 -3.072202 -0.093190
H 4.084212 -0.999640 -1.592483
H 4.630806 -2.134245 -0.278661
H -4.084192 0.999600 -1.592575
H -4.630798 2.134271 -0.278816
H 6.326182 0.727274 1.163283
H 6.548554 0.263454 -0.556575
H 6.462627 -0.997893 0.726418
H -6.326190 -0.727176 1.163252
H -6.548544 -0.263438 -0.556630
H -6.462629 0.997970 0.726303


