%chk=000212343.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212343

0 1
O -1.033133 0.540017 -0.781489
O 0.788330 0.451215 -2.118364
O 2.979770 -0.399471 -0.705915
O 2.681431 -0.761842 1.542077
N 0.913145 -0.086350 0.200649
N 6.619462 0.067719 -0.090605
C -3.740641 -0.387407 -0.084289
C -4.299908 0.908609 0.554112
C -1.407055 0.302547 0.640695
C -2.441869 -0.821311 0.626318
C -3.247892 2.029286 0.457731
C -1.944728 1.636116 1.163432
C -4.785740 -1.516488 -0.025119
C -5.602637 1.330172 -0.151909
C -6.089202 -1.091061 -0.714439
C -6.644169 0.204303 -0.106330
C -0.071599 -0.116425 1.319693
C 0.300295 0.312469 -1.035429
C 2.255407 -0.450386 0.450049
C 4.402070 -0.753672 -0.604884
C 5.169377 0.430625 -0.005481
C 7.092927 -0.540907 1.187661
C 7.451858 1.253585 -0.447022
H -3.493593 -0.177530 -1.155823
H -4.525472 0.713075 1.629177
H -2.661526 -1.135555 1.664927
H -2.024691 -1.710300 0.111975
H -3.641875 2.965083 0.894334
H -3.030757 2.252713 -0.607934
H -1.189030 2.433061 1.010488
H -2.110136 1.564828 2.256383
H -4.992436 -1.793043 1.025799
H -4.386749 -2.427245 -0.509161
H -5.392677 1.602034 -1.204448
H -6.011965 2.241032 0.322098
H -6.839403 -1.899305 -0.631510
H -5.910976 -0.949531 -1.798249
H -7.556324 0.514752 -0.649492
H -6.957784 0.023648 0.939608
H 0.241603 0.578326 2.128248
H -0.113913 -1.130398 1.772411
H 4.507433 -1.681572 -0.020277
H 4.640077 -0.928246 -1.671940
H 4.944418 1.347767 -0.591889
H 4.814099 0.632231 1.029013
H 7.095306 0.138573 2.052595
H 6.459875 -1.408235 1.436191
H 8.117845 -0.918329 1.040293
H 7.413257 2.082966 0.273803
H 8.502023 0.933649 -0.548349
H 7.135570 1.630710 -1.433512


%chk=000212343-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212343

0 1
O -1.031278 0.495549 -0.854345
O 0.850471 0.436983 -2.220147
O 3.039067 -0.516050 -0.770421
O 2.630777 -0.923870 1.506436
N 0.914523 -0.220180 0.100747
N 6.681653 0.173693 -0.014189
C -3.800023 -0.390397 -0.091186
C -4.305412 0.910943 0.593212
C -1.392495 0.197203 0.587618
C -2.490131 -0.882172 0.566584
C -3.207842 2.000799 0.564309
C -1.894280 1.512646 1.213985
C -4.888984 -1.488966 -0.070712
C -5.619430 1.397959 -0.063549
C -6.204510 -0.999239 -0.720834
C -6.710132 0.301553 -0.051830
C -0.055464 -0.301368 1.214652
C 0.329891 0.250083 -1.114697
C 2.249713 -0.576665 0.357807
C 4.489741 -0.816989 -0.567663
C 5.251735 0.480021 -0.236831
C 6.974418 -0.272924 1.363510
C 7.598197 1.239489 -0.463575
H -3.571810 -0.143524 -1.150117
H -4.525951 0.664710 1.658552
H -2.692812 -1.182311 1.616800
H -2.107545 -1.778651 0.039966
H -3.562687 2.910901 1.086194
H -3.005554 2.286055 -0.486704
H -1.102710 2.281543 1.127019
H -2.054920 1.328529 2.296692
H -5.088253 -1.785002 0.981888
H -4.519425 -2.394541 -0.592407
H -5.407027 1.693758 -1.112527
H -5.983314 2.306950 0.456114
H -6.978217 -1.788741 -0.656691
H -6.028224 -0.809020 -1.799568
H -7.622097 0.664818 -0.564050
H -6.997546 0.083242 0.997880
H 0.273832 0.333619 2.055153
H -0.129752 -1.339749 1.581628
H 4.592975 -1.567604 0.234119
H 4.818510 -1.231096 -1.531400
H 5.156426 1.170632 -1.093317
H 4.777170 0.975231 0.644523
H 6.866308 0.546439 2.118171
H 6.293778 -1.090266 1.656603
H 8.008883 -0.656998 1.417873
H 7.507479 2.186275 0.126572
H 8.642197 0.887276 -0.376845
H 7.407784 1.475924 -1.525104


