%chk=000207458.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207458

0 1
O -1.546694 -2.075291 -1.062231
O -7.020856 0.534398 0.922115
O -6.117810 -1.426483 1.077449
O 6.717788 1.756705 0.401791
O 7.194196 -0.270179 0.991230
N -6.086919 -0.240533 0.800102
N 6.431215 0.582963 0.570430
C -2.521851 -0.021107 -0.406719
C 2.452603 -0.624503 -0.380523
C -3.726187 -0.553180 0.070655
C -1.369943 -0.955068 -0.633725
C 1.084470 -1.062781 -0.709948
C -4.813146 0.307563 0.277186
C -2.422670 1.347495 -0.696581
C 2.840607 0.714781 -0.557045
C 3.375825 -1.568772 0.103604
C -0.019570 -0.435868 -0.284257
C 5.049974 0.162890 0.239181
C 4.141306 1.112966 -0.250467
C 4.675655 -1.177832 0.419912
C -4.721652 1.679733 -0.006884
C -3.520327 2.192028 -0.499418
H -3.822267 -1.629252 0.276234
H 1.015874 -1.967774 -1.334332
H -1.489052 1.758009 -1.088297
H 2.127065 1.443952 -0.941864
H 3.074608 -2.609447 0.239481
H 0.014220 0.445712 0.356472
H 4.460299 2.153112 -0.385411
H 5.405311 -1.900781 0.803837
H -5.589915 2.329262 0.157821
H -3.439653 3.255182 -0.731996


%chk=000207458-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207458

0 1
O -1.522716 -2.073558 0.055720
O -7.380551 0.365145 0.062907
O -6.365340 -1.656515 0.352965
O 6.990691 1.700106 -0.064645
O 7.550994 -0.512055 -0.001163
N -6.333967 -0.386701 0.139162
N 6.685518 0.445459 -0.031521
C -2.576341 0.083790 -0.115264
C 2.510282 -0.599539 -0.023872
C -3.845682 -0.529817 0.041801
C -1.364407 -0.813372 -0.035090
C 1.104359 -1.017346 -0.020353
C -5.002579 0.262130 -0.031869
C -2.512693 1.484363 -0.349387
C 2.920826 0.767837 -0.055963
C 3.516915 -1.610145 0.007066
C -0.003882 -0.211786 -0.056200
C 5.246773 0.081882 -0.028300
C 4.280244 1.114432 -0.058575
C 4.883741 -1.281647 0.005085
C -4.954276 1.655581 -0.263149
C -3.691729 2.259520 -0.424422
H -3.907712 -1.608100 0.215234
H 0.909408 -2.099344 0.015872
H -1.550151 1.985256 -0.488008
H 2.172097 1.565691 -0.077443
H 3.214291 -2.662886 0.032858
H 0.092826 0.877713 -0.088503
H 4.612080 2.155574 -0.082926
H 5.663600 -2.046903 0.028650
H -5.884649 2.227165 -0.312804
H -3.625466 3.335968 -0.610062


