%chk=000180203.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180203

0 1
O 0.184352 1.289382 -0.089794
O 0.150069 -1.753617 0.096777
O -1.051191 -0.037853 1.877312
O -3.384943 -1.612176 -0.371548
O -0.666191 0.676023 -2.091943
O -1.170324 -2.884145 -1.350530
N 3.487128 0.583986 0.900691
C 2.150906 0.051377 0.440954
C 1.552167 1.076578 -0.556406
C 2.333199 2.377428 -0.360887
C 3.601131 2.005724 0.435698
C 2.442754 -1.296546 -0.190792
C 4.532512 -0.355501 0.343571
C 3.765562 -1.514414 -0.251975
C -2.152507 0.885440 -0.151610
C 1.345576 -2.187344 -0.646913
C -2.135811 -0.161726 0.985943
C -2.489636 2.298457 0.409476
C -2.233260 -1.638092 0.471693
C -0.858194 0.923119 -0.927107
C -1.062183 -2.159695 -0.390877
C -2.312097 3.367069 -0.673041
C -3.919991 2.326441 0.955845
C -2.422529 -2.612841 1.626866
H 1.479182 -0.051177 1.338061
H 1.530783 0.726785 -1.609341
H 1.712276 3.106521 0.198099
H 2.577899 2.855216 -1.323316
H 4.517685 2.188864 -0.156679
H 3.682493 2.623667 1.357613
H 5.154293 -0.685142 1.205980
H 5.210589 0.113174 -0.395633
H 4.285319 -2.372856 -0.640760
H -2.962824 0.578996 -0.878090
H -3.024293 0.015761 1.654342
H 1.134228 -2.092853 -1.732793
H 1.505902 -3.250523 -0.388005
H -1.771944 2.505127 1.246406
H -2.888733 3.139226 -1.577210
H -2.648007 4.348033 -0.316435
H -1.262136 3.479951 -0.968537
H -4.663326 2.144320 0.171020
H -4.150657 3.300767 1.402384
H -4.072298 1.570064 1.736876
H -1.669782 -2.432722 2.413148
H -3.412025 -2.482089 2.087209
H -2.348645 -3.662696 1.321740
H -0.165508 -0.004310 1.397182
H -3.470367 -2.451575 -0.890561


%chk=000180203-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180203

0 1
O 0.172402 1.309407 0.152615
O 0.131525 -1.783969 0.119726
O -1.393378 0.135937 2.110728
O -3.524301 -1.881062 -0.154057
O -0.484458 0.541691 -1.956697
O -1.318110 -2.713613 -1.445837
N 3.698033 0.486723 0.756086
C 2.293832 0.024630 0.496920
C 1.606405 1.219609 -0.232861
C 2.389269 2.440948 0.279726
C 3.842956 1.906898 0.323984
C 2.457232 -1.275405 -0.280447
C 4.659138 -0.513183 0.209566
C 3.772756 -1.580164 -0.418469
C -2.187801 0.845561 -0.174334
C 1.278932 -2.032603 -0.821641
C -2.294496 -0.171244 1.011748
C -2.622755 2.294675 0.248882
C -2.265157 -1.689660 0.581429
C -0.793806 0.864166 -0.789937
C -1.122233 -2.107782 -0.362346
C -2.420700 3.287311 -0.921581
C -4.095199 2.324288 0.721861
C -2.238763 -2.592138 1.835560
H 1.738784 -0.161188 1.439801
H 1.661154 1.116185 -1.330877
H 2.039888 2.699338 1.295242
H 2.279994 3.326706 -0.367128
H 4.313266 1.980159 -0.686326
H 4.469689 2.486031 1.026182
H 5.303276 -0.942959 1.004482
H 5.341025 -0.049702 -0.540184
H 4.178706 -2.470119 -0.909210
H -2.871970 0.488510 -0.966551
H -3.311625 -0.068458 1.428166
H 0.959539 -1.661238 -1.814574
H 1.455957 -3.119502 -0.889832
H -1.975676 2.604159 1.092922
H -3.026255 2.993768 -1.800091
H -2.731454 4.303762 -0.618928
H -1.364223 3.343179 -1.242234
H -4.769664 1.901692 -0.047120
H -4.407308 3.367998 0.909483
H -4.248240 1.763350 1.659790
H -1.356192 -2.368973 2.455026
H -3.147459 -2.391704 2.428311
H -2.238907 -3.657763 1.545842
H -0.540094 0.484273 1.729821
H -3.326929 -2.450921 -0.948534


