%chk=000183855.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183855

0 1
O -1.948286 1.201944 -1.068038
O 0.282628 0.775056 -1.594004
N -0.299248 0.126451 1.217882
N 2.618826 -2.257005 -1.166472
C 1.252194 -1.880965 0.884142
C 0.711786 -0.787948 1.839162
C 2.365875 -1.312593 -0.025435
C 1.769467 -3.067787 1.701557
C -1.500460 -0.438238 0.731737
C 0.259592 1.371743 0.756711
C -2.305696 0.074964 -0.316092
C 0.574467 1.690960 -0.582225
C 3.930890 -1.940901 -1.809799
C 1.518176 -2.159478 -2.173808
C -2.023995 -1.569837 1.418152
C 0.582921 2.321265 1.747975
C -3.562651 -0.458221 -0.630172
C 1.201416 2.892498 -0.932535
C -1.042874 0.959615 -2.138809
C -3.266330 -2.105061 1.099867
C 1.210532 3.519304 1.405314
C -4.052175 -1.549079 0.081540
C 1.531476 3.802195 0.072050
H 0.412297 -2.241810 0.234808
H 0.227200 -1.264074 2.724235
H 1.547969 -0.177380 2.242710
H 3.302552 -1.200965 0.559653
H 2.085887 -0.295078 -0.377386
H 2.232206 -3.807046 1.028185
H 0.965245 -3.576123 2.240743
H 2.535478 -2.773801 2.425046
H 4.112098 -2.662417 -2.622191
H 4.735383 -2.079800 -1.070787
H 4.010498 -0.926455 -2.226518
H 0.586950 -2.524111 -1.707472
H 1.739024 -2.816004 -3.027085
H 1.329118 -1.138638 -2.546228
H -1.447592 -2.020202 2.226772
H 0.327224 2.115659 2.788490
H -4.140915 -0.000265 -1.432104
H 1.428550 3.094717 -1.977205
H -1.222990 0.022963 -2.684479
H -1.092764 1.891237 -2.725409
H -3.635753 -2.967974 1.654370
H 1.448789 4.243047 2.184062
H -5.027826 -1.966572 -0.150787
H 2.029743 4.736410 -0.182418


%chk=000183855-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183855

0 1
O -2.198921 1.514659 -0.888209
O 0.028809 1.134585 -1.757012
N -0.264605 0.100137 0.941169
N 2.793378 -2.446476 -1.075840
C 1.280092 -1.944076 0.892180
C 0.663439 -0.776002 1.714640
C 2.270663 -1.394537 -0.164199
C 1.973101 -2.946439 1.840514
C -1.535842 -0.408862 0.582837
C 0.238103 1.424511 0.666584
C -2.478644 0.252648 -0.272745
C 0.480756 1.905791 -0.649582
C 4.048634 -2.028766 -1.735065
C 1.788974 -2.890094 -2.067385
C -1.981341 -1.660381 1.125963
C 0.658469 2.240284 1.750340
C -3.763958 -0.267982 -0.516757
C 1.133946 3.132176 -0.878134
C -1.375381 1.462521 -2.076043
C -3.262353 -2.184504 0.868606
C 1.315523 3.469841 1.531615
C -4.178667 -1.491010 0.048735
C 1.567761 3.916226 0.213795
H 0.458848 -2.466139 0.365313
H 0.155583 -1.178425 2.613600
H 1.487402 -0.138993 2.079414
H 3.137576 -0.954967 0.369905
H 1.780295 -0.572601 -0.739607
H 2.517651 -3.698641 1.244519
H 1.245692 -3.466246 2.492944
H 2.707357 -2.432387 2.492444
H 4.440031 -2.860420 -2.348982
H 4.807178 -1.781754 -0.970777
H 3.925999 -1.137359 -2.402007
H 0.896286 -3.292842 -1.559115
H 2.216715 -3.698540 -2.687255
H 1.454607 -2.064383 -2.745124
H -1.322157 -2.233827 1.780391
H 0.451639 1.903222 2.772344
H -4.428820 0.318157 -1.160468
H 1.307226 3.449447 -1.912220
H -1.691104 0.673903 -2.780575
H -1.441760 2.478621 -2.503674
H -3.541611 -3.142324 1.321792
H 1.623206 4.079331 2.388136
H -5.179530 -1.887273 -0.147207
H 2.086660 4.864391 0.037905


