%chk=000296529.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296529

0 1
O -7.854610 -1.227414 0.404912
O -7.443123 1.465135 -0.573545
O 6.943788 -1.495504 -0.218409
O 8.233852 1.059278 -0.078308
O 2.199786 -1.304846 0.455545
N -2.969303 -1.590598 0.541607
N -2.628388 0.570923 -0.159925
N 2.622629 0.880765 -0.145063
N 4.027325 3.319057 0.107802
C -4.238670 -1.034111 0.334950
C -4.008412 0.321220 -0.102396
C -2.020275 -0.571883 0.223647
C -5.533219 -1.567431 0.469370
C -5.098683 1.171706 -0.379721
C -6.588330 -0.715638 0.178826
C -6.369703 0.646592 -0.232042
C 4.054701 0.854163 -0.077664
C -0.586633 -0.813119 0.328225
C 4.759416 2.079784 0.047347
C 4.767397 -0.355192 -0.155314
C 6.159452 -0.356535 -0.148069
C 6.871459 0.872230 -0.072127
C 6.163480 2.073945 0.031318
C 0.326037 0.108921 -0.008038
C 1.780239 -0.204267 0.128395
C -8.754284 -1.174216 -0.737976
C -8.217277 1.905841 0.577561
C 6.257223 -2.772466 -0.223907
C 9.080859 -0.114469 -0.170073
H -2.775942 -2.526792 0.845076
H -5.711568 -2.590772 0.785735
H -4.938655 2.201819 -0.698249
H -0.279044 -1.800820 0.701618
H 4.206808 -1.295346 -0.214745
H 6.730062 3.002516 0.098885
H 2.220619 1.771583 -0.459115
H 0.037314 1.094864 -0.385433
H 4.633244 4.132396 0.039898
H 3.480543 3.395932 0.963290
H -8.808338 -0.159683 -1.151523
H -9.706564 -1.481705 -0.292889
H -8.413179 -1.891579 -1.489241
H -9.022040 2.481025 0.107479
H -7.596024 2.540591 1.215025
H -8.604637 1.041773 1.128291
H 7.098399 -3.475749 -0.233680
H 5.654778 -2.887761 0.682957
H 5.648677 -2.870506 -1.127894
H 8.879423 -0.651192 -1.103434
H 8.918402 -0.762516 0.697664
H 10.081889 0.330448 -0.164742


%chk=000296529-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296529

0 1
O -7.964086 -1.125896 0.119037
O -7.440416 1.666970 -0.405875
O 7.101060 -1.538337 0.199260
O 8.292543 1.051613 -0.093678
O 2.168101 -1.568677 0.586558
N -3.026562 -1.638203 0.411990
N -2.608210 0.567700 -0.030759
N 2.659682 0.695790 0.159503
N 3.872356 3.140509 0.085047
C -4.279691 -1.045573 0.243025
C -3.992805 0.340755 -0.033394
C -2.045684 -0.637163 0.238668
C -5.593999 -1.551069 0.283176
C -5.058156 1.249611 -0.241790
C -6.639640 -0.637074 0.052453
C -6.372740 0.761161 -0.182450
C 4.073792 0.692815 0.167164
C -0.631855 -0.929255 0.349761
C 4.705999 1.970647 0.088427
C 4.855442 -0.487772 0.208867
C 6.261605 -0.411641 0.117465
C 6.901056 0.857544 -0.044928
C 6.109826 2.026613 -0.035198
C 0.355535 0.004576 0.193483
C 1.783925 -0.376334 0.329941
C -8.734221 -1.018012 -1.144288
C -8.277896 1.922565 0.789838
C 6.456397 -2.836907 0.423533
C 9.077269 0.219548 -1.029500
H -2.840256 -2.617627 0.620600
H -5.837458 -2.600715 0.469444
H -4.876470 2.310005 -0.433346
H -0.322872 -1.959676 0.573932
H 4.329271 -1.438076 0.313711
H 6.629230 2.988284 -0.103596
H 2.271325 1.618807 -0.079924
H 0.082174 1.043080 -0.032616
H 4.264485 3.958743 -0.385131
H 3.417067 3.372923 0.973844
H -8.781249 0.030575 -1.486647
H -9.739998 -1.395596 -0.905124
H -8.269421 -1.650753 -1.924170
H -9.060337 2.621466 0.456707
H -7.669533 2.390593 1.587083
H -8.729291 0.984854 1.161933
H 7.283909 -3.558539 0.492708
H 5.876335 -2.836140 1.365646
H 5.790155 -3.106847 -0.417970
H 8.709390 0.352408 -2.065637
H 9.028948 -0.844272 -0.748079
H 10.106871 0.600396 -0.946804


