%chk=000201164.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201164

0 1
O -1.911013 -1.068977 1.022623
O 2.333426 -1.705223 -0.324488
O -1.961827 -3.277752 -0.307119
O -4.202410 0.883287 0.577711
N 2.949614 1.039417 0.360066
C 0.441560 -0.508326 0.594880
C 1.366000 -0.681293 -0.643800
C 2.121115 0.676663 -0.840256
C -0.553794 -1.677597 0.861927
C 1.243231 -0.097052 1.842935
C -0.518116 0.588401 0.187581
C 1.167940 1.887248 -1.087820
C 2.730065 0.154296 1.552884
C -0.218705 1.728250 -0.543041
C -0.668081 -2.679045 -0.314854
C 0.566282 -1.148977 -1.838546
C -1.832460 0.226858 0.514736
C -0.389288 -2.066279 -1.667914
C 4.405407 1.058318 0.019204
C -1.281593 2.621155 -0.797382
C -2.884323 1.111372 0.264989
C -2.581829 2.330543 -0.380499
H 2.768214 0.570694 -1.746668
H -0.411032 -2.192614 1.829537
H 1.164993 -0.872238 2.629103
H 0.793308 0.821189 2.277772
H 1.112396 2.083840 -2.176684
H 1.636075 2.794807 -0.637192
H 3.186951 0.680591 2.420755
H 3.250081 -0.828071 1.447668
H 0.017953 -3.549366 -0.148553
H 0.793542 -0.697513 -2.798676
H -1.014970 -2.444590 -2.476883
H 2.682482 -2.118912 -1.138343
H 4.822879 0.083563 -0.274310
H 4.970458 1.425876 0.891645
H 4.577206 1.778448 -0.795944
H -1.089449 3.547827 -1.334954
H -3.398522 3.027794 -0.569238
H -2.658297 -2.579489 -0.193589
H -4.303469 0.023680 1.064438


%chk=000201164-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201164

0 1
O -1.926877 -0.999685 1.082250
O 2.330922 -1.932108 -0.314235
O -2.196885 -3.229649 -0.403754
O -4.095180 1.067071 0.810231
N 2.824693 0.975278 0.407586
C 0.456062 -0.621407 0.561550
C 1.388528 -0.824279 -0.657508
C 2.171150 0.520776 -0.849849
C -0.611345 -1.736721 0.800041
C 1.287175 -0.333557 1.862690
C -0.430441 0.563878 0.176409
C 1.236415 1.666850 -1.351047
C 2.747262 0.084217 1.582432
C -0.093974 1.676104 -0.610596
C -0.831517 -2.700699 -0.408998
C 0.580910 -1.225031 -1.882433
C -1.743752 0.318910 0.578584
C -0.459060 -2.088101 -1.750892
C 4.151085 1.570024 0.196338
C -1.116049 2.644131 -0.809377
C -2.765265 1.267646 0.399352
C -2.417505 2.459912 -0.284114
H 2.939526 0.328408 -1.637768
H -0.432279 -2.321284 1.713639
H 1.309623 -1.241427 2.493487
H 0.769754 0.458969 2.432003
H 1.031485 1.549127 -2.436353
H 1.779072 2.623184 -1.232556
H 3.131870 0.651012 2.452695
H 3.376326 -0.825990 1.463726
H -0.178511 -3.578668 -0.240588
H 0.865917 -0.818852 -2.861603
H -1.046379 -2.433840 -2.610206
H 2.725526 -2.266068 -1.159968
H 4.934315 0.822156 -0.088268
H 4.485359 2.075686 1.120747
H 4.106284 2.332672 -0.603251
H -0.907988 3.540733 -1.404858
H -3.200036 3.208664 -0.441851
H -2.783295 -2.492680 -0.079967
H -4.170924 0.215443 1.309982


