%chk=000220269.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220269

0 1
O 7.392841 0.236246 1.050597
O 6.221967 -2.510430 -0.929073
N 5.637177 0.016673 -0.403150
C -2.395570 0.370648 -0.447481
C -1.198843 0.826004 0.398542
C -3.713363 0.504354 0.327665
C 0.118957 0.692680 -0.376680
C -4.910305 0.049120 -0.518141
C 1.315159 1.147727 0.470107
C -6.228045 0.182717 0.257114
C 2.633206 1.016505 -0.305534
C -7.425227 -0.272352 -0.588466
C 3.827094 1.468673 0.543738
C -8.742647 -0.138581 0.186864
C 5.157798 1.407898 -0.220664
C -9.941214 -0.593598 -0.657750
C -11.255288 -0.462526 0.109190
C 6.712170 -0.470890 0.324516
C 7.015459 -1.978042 0.137981
C 8.498719 -2.201104 -0.085380
H -2.252565 -0.679533 -0.767454
H -2.445778 0.965442 -1.379837
H -1.149239 0.230648 1.330723
H -1.342784 1.875827 0.719258
H -3.856876 1.554306 0.648036
H -3.663709 -0.090695 1.259953
H 0.261583 -0.357565 -0.696883
H 0.068383 1.287923 -1.308758
H -4.767219 -1.000934 -0.838356
H -4.960464 0.644064 -1.450393
H 1.365173 0.550854 1.401540
H 1.169948 2.196836 0.792909
H -6.178319 -0.412380 1.189333
H -6.371499 1.232624 0.577613
H 2.582394 1.615376 -1.235557
H 2.772061 -0.033272 -0.628123
H -7.282069 -1.322379 -0.908676
H -7.475181 0.322671 -1.520672
H 3.666524 2.507933 0.894883
H 3.893732 0.855907 1.465172
H -8.694313 -0.733027 1.119367
H -8.887368 0.910858 0.507760
H 5.060451 1.876482 -1.225130
H 5.938339 1.986838 0.333674
H -9.798726 -1.644373 -0.977636
H -9.992040 0.001895 -1.590244
H 5.013923 -0.626521 -0.890875
H -11.446163 0.574284 0.408528
H -12.104403 -0.789387 -0.501237
H -11.252958 -1.070953 1.020693
H 6.629962 -2.532929 1.029117
H 8.860407 -1.733200 -1.008867
H 8.741149 -3.269882 -0.130803
H 9.086116 -1.757430 0.736588
H 6.657586 -2.367631 -1.796146


%chk=000220269-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220269

0 1
O 7.331142 0.072121 1.290001
O 6.228210 -2.368077 -1.252466
N 5.726340 0.116475 -0.418280
C -2.369351 0.318167 -0.395193
C -1.158974 0.837102 0.413337
C -3.716334 0.481554 0.344542
C 0.188508 0.669742 -0.324625
C -4.930112 -0.008691 -0.476775
C 1.393756 1.218038 0.471988
C -6.277275 0.151240 0.263424
C 2.743082 1.047290 -0.262186
C -7.492828 -0.316818 -0.568436
C 3.937871 1.620898 0.532140
C -8.840846 -0.158877 0.170640
C 5.296232 1.506120 -0.199818
C -10.056584 -0.615449 -0.668168
C -11.399474 -0.453728 0.076633
C 6.690204 -0.494314 0.349921
C 6.929382 -1.986978 -0.001367
C 8.426738 -2.323434 -0.041231
H -2.214078 -0.753181 -0.641658
H -2.417573 0.855631 -1.365628
H -1.112309 0.304920 1.386533
H -1.313804 1.909946 0.653842
H -3.861731 1.550272 0.608242
H -3.676161 -0.072139 1.306018
H 0.353512 -0.405329 -0.547140
H 0.134249 1.185211 -1.306634
H -4.784095 -1.075995 -0.745598
H -4.971266 0.549485 -1.435761
H 1.446851 0.707944 1.456314
H 1.229464 2.294425 0.689033
H -6.242801 -0.419332 1.215228
H -6.415871 1.216159 0.545480
H 2.686202 1.547400 -1.252691
H 2.909361 -0.031855 -0.461455
H -7.353848 -1.380915 -0.853446
H -7.527408 0.256435 -1.518771
H 3.754539 2.694663 0.742607
H 4.018568 1.113347 1.513238
H -8.811812 -0.738857 1.117007
H -8.977708 0.903621 0.462631
H 5.239587 2.021311 -1.179394
H 6.088303 1.988360 0.399934
H -9.919129 -1.676881 -0.959809
H -10.084245 -0.035233 -1.613272
H 5.270423 -0.479690 -1.116788
H -11.575055 0.603645 0.351529
H -12.251516 -0.787321 -0.544117
H -11.408717 -1.047457 1.010349
H 6.431832 -2.586259 0.782611
H 8.930727 -1.796956 -0.875294
H 8.577956 -3.410183 -0.159299
H 8.903172 -1.988119 0.894529
H 6.860796 -2.269054 -2.008958


