%chk=000215242.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215242

0 1
O -1.282411 0.877540 0.276246
O 0.671792 -2.732208 0.070241
N -3.311881 -0.088654 0.655056
C -5.526053 -0.396303 -0.329436
C -5.116969 1.079699 -0.479169
C -4.319691 -1.135726 0.278432
C -3.885145 1.276068 0.419639
C -1.968763 -0.338446 0.373857
C 0.834490 -0.345645 0.087763
C -1.329032 -1.533978 0.310267
C 0.108992 0.827318 0.162022
C 2.264148 -0.236566 -0.041705
C 0.112334 -1.652595 0.149057
C 2.858089 1.056656 -0.086634
C 0.679383 2.133041 0.120262
C 2.039307 2.230444 -0.002755
C 3.118027 -1.380066 -0.127784
C 4.276953 1.177077 -0.215165
C 4.477464 -1.235753 -0.250681
C 5.068816 0.058606 -0.295381
H -6.410601 -0.491987 0.325883
H -5.811994 -0.831300 -1.302591
H -4.877000 1.313801 -1.532317
H -5.937572 1.757528 -0.189312
H -4.594992 -1.677504 1.209818
H -3.899441 -1.881383 -0.428869
H -3.145021 1.972084 -0.026577
H -4.166468 1.683840 1.416051
H -1.860111 -2.479026 0.402235
H 0.027436 3.000441 0.189026
H 2.523087 3.208560 -0.038368
H 2.658498 -2.379595 -0.093391
H 4.715835 2.173275 -0.247781
H 5.123415 -2.111370 -0.315687
H 6.149479 0.141727 -0.393152


%chk=000215242-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215242

0 1
O -1.252467 0.937871 0.067667
O 0.666100 -2.777894 -0.082434
N -3.327905 -0.032770 0.048022
C -5.663622 -0.413723 0.271694
C -5.429833 0.990097 -0.345615
C -4.313482 -1.139260 0.052072
C -3.962995 1.310104 0.025109
C -1.979610 -0.257248 0.029685
C 0.881245 -0.328806 0.001937
C -1.335561 -1.486778 -0.021818
C 0.162266 0.881510 0.050015
C 2.333686 -0.240884 -0.011530
C 0.110085 -1.620906 -0.035569
C 2.967610 1.065075 0.026967
C 0.772878 2.166942 0.088743
C 2.158825 2.250504 0.077710
C 3.180489 -1.399697 -0.062928
C 4.396139 1.165112 0.013731
C 4.573605 -1.267034 -0.075128
C 5.192419 0.019083 -0.036655
H -5.873055 -0.324640 1.353133
H -6.503148 -0.953912 -0.196103
H -5.540430 0.946563 -1.444352
H -6.130039 1.749328 0.040732
H -4.086338 -1.865100 0.855369
H -4.288716 -1.682626 -0.914821
H -3.462590 1.966420 -0.706895
H -3.888337 1.794181 1.019377
H -1.914165 -2.411311 -0.063793
H 0.132468 3.052497 0.127504
H 2.652139 3.228738 0.107812
H 2.698940 -2.379837 -0.092389
H 4.853860 2.161303 0.043791
H 5.199137 -2.165950 -0.115036
H 6.284805 0.102647 -0.046909


