%chk=000202293.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202293

0 1
O -0.492631 -1.570061 -0.363142
O -1.250024 -1.036875 1.702545
O 3.112925 3.177680 -0.212249
N 3.811259 -0.751717 -1.062985
C 2.993967 -1.840029 1.156555
C 1.790863 -1.247839 0.373884
C 3.968260 -0.676675 1.456663
C 3.731696 -2.882926 0.287521
C 2.313683 -0.702645 -0.983908
C 4.383173 -0.019035 0.117898
C 4.244115 -2.189136 -0.998042
C 0.665833 -2.267760 0.195274
C -1.343592 -0.927178 0.502494
C -2.324781 -0.108894 -0.324822
C -2.239198 1.371160 0.114550
C -3.733210 -0.632695 -0.166595
C -0.839719 1.905055 -0.011186
C -4.535075 -0.805667 -1.304195
C -4.253613 -0.925264 1.103139
C -0.008859 1.965586 1.125500
C -0.343077 2.321354 -1.251645
C -5.848322 -1.265660 -1.169456
C -5.565731 -1.385904 1.231315
C -6.366103 -1.555451 0.096513
C 1.302369 2.411130 1.022708
C 0.975333 2.770870 -1.383568
C 1.788342 2.797618 -0.244641
C 3.766390 3.451437 -1.476381
H 2.647713 -2.303629 2.103450
H 1.377434 -0.390179 0.964175
H 3.492206 0.064365 2.121042
H 4.852706 -1.051014 1.998256
H 4.572234 -3.320028 0.852676
H 3.063117 -3.722632 0.038249
H 1.893490 -1.272008 -1.837020
H 1.989231 0.348259 -1.127275
H 5.485118 0.002096 0.011672
H 4.036454 1.037229 0.075762
H 3.868027 -2.704647 -1.903905
H 5.350419 -2.222640 -1.050731
H 0.865347 -3.024241 -0.582811
H 0.374742 -2.751540 1.144157
H -2.008995 -0.181825 -1.402385
H -2.605491 1.470411 1.159260
H -2.945333 1.969056 -0.498078
H -4.139894 -0.585402 -2.294081
H -3.625444 -0.803519 1.990022
H -0.395686 1.642168 2.094878
H -0.983443 2.290696 -2.133079
H -6.468124 -1.399498 -2.054595
H -5.964773 -1.614620 2.218617
H -7.388423 -1.913982 0.198933
H 1.959374 2.462862 1.887636
H 1.345975 3.083960 -2.353632
H 4.786596 3.695568 -1.153396
H 3.759601 2.554292 -2.105568
H 3.297147 4.305663 -1.971073


%chk=000202293-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202293

0 1
O -0.473784 -1.621591 -0.321863
O -1.241283 -0.907398 1.763775
O 3.082483 3.536989 -0.276327
N 3.844060 -0.879051 -1.020187
C 3.088359 -2.078908 1.164161
C 1.861107 -1.404225 0.476839
C 4.112436 -0.958139 1.500380
C 3.771899 -3.096892 0.207004
C 2.354971 -0.830852 -0.904650
C 4.457688 -0.199563 0.163790
C 4.285870 -2.306774 -1.053925
C 0.661229 -2.349135 0.338298
C -1.322783 -0.897756 0.511573
C -2.329884 -0.090760 -0.309751
C -2.269272 1.414502 0.139350
C -3.751336 -0.646506 -0.176527
C -0.884105 2.027826 0.001192
C -4.513831 -0.915867 -1.340316
C -4.343098 -0.857524 1.096115
C -0.043034 2.185236 1.136139
C -0.374629 2.420502 -1.260089
C -5.844939 -1.380499 -1.239309
C -5.671332 -1.325667 1.197578
C -6.428906 -1.585786 0.031439
C 1.260914 2.699536 1.014427
C 0.933708 2.936514 -1.405899
C 1.758679 3.066287 -0.260945
C 3.659607 3.889857 -1.576682
H 2.768323 -2.586927 2.093800
H 1.538982 -0.566809 1.126737
H 3.685194 -0.264168 2.248713
H 5.019357 -1.409240 1.947293
H 4.611272 -3.588146 0.734773
H 3.065828 -3.897353 -0.085135
H 1.932576 -1.417434 -1.742399
H 2.022975 0.212708 -1.033522
H 5.550670 -0.155155 0.004456
H 4.081208 0.839334 0.187707
H 3.906741 -2.758149 -1.989125
H 5.390123 -2.315805 -1.105245
H 0.858061 -3.192108 -0.345192
H 0.316458 -2.718968 1.321230
H -2.015641 -0.158052 -1.365761
H -2.608429 1.469744 1.189308
H -3.008690 1.961564 -0.475724
H -4.062588 -0.763844 -2.328748
H -3.753231 -0.673322 2.001254
H -0.414199 1.884783 2.122620
H -1.006809 2.323182 -2.152024
H -6.422156 -1.584735 -2.148256
H -6.115551 -1.489382 2.186025
H -7.460140 -1.947500 0.112199
H 1.910589 2.822975 1.886606
H 1.292742 3.224314 -2.398422
H 4.685995 4.217141 -1.355084
H 3.685197 3.014896 -2.254830
H 3.099946 4.717801 -2.053945


