%chk=000299342.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299342

0 1
O -0.076051 -0.801680 -1.579827
O -2.445644 -0.345661 -2.095274
O 0.023903 0.241539 0.427437
N 3.927036 -0.811396 -0.248152
C 6.006406 0.533322 -0.140036
C 4.023542 1.135054 1.335265
C 5.558397 1.145158 1.199054
C 5.424213 -0.890817 -0.296887
C 3.463204 -0.283974 1.076318
C 3.332091 -2.157591 -0.546207
C 7.534289 0.491590 -0.243840
C 3.359077 2.163676 0.415638
C 1.802319 -2.073383 -0.676566
C 1.384401 -0.957726 -1.627074
C -2.165209 -0.108604 -0.710750
C -0.626445 -0.157940 -0.508650
C -2.728812 1.270813 -0.412028
C -2.824962 -1.176247 0.152270
C -2.339505 1.966650 0.741003
C -3.902827 -1.901339 -0.373351
C -3.668588 1.833310 -1.287216
C -2.394562 -1.414105 1.464510
C -2.892074 3.220133 1.015217
C -4.536774 -2.872642 0.405842
C -4.216561 3.088084 -1.007622
C -3.032641 -2.385598 2.240127
C -3.831088 3.781741 0.143676
C -4.101595 -3.117312 1.712204
H 5.604335 1.167067 -0.970307
H 3.769367 1.401607 2.392586
H 6.007854 0.586286 2.040286
H 5.937545 2.179561 1.285156
H 5.717970 -1.302194 -1.285604
H 5.848999 -1.565629 0.475190
H 3.738688 -0.949807 1.920466
H 2.347837 -0.228989 1.053393
H 3.588757 -2.927320 0.213996
H 3.763470 -2.504731 -1.511931
H 7.982889 -0.124211 0.542748
H 7.962716 1.496162 -0.154075
H 7.859840 0.085385 -1.207344
H 3.543344 1.923566 -0.639704
H 2.270751 2.172646 0.554062
H 3.731281 3.174497 0.601338
H 1.402903 -3.046945 -1.018657
H 1.344775 -1.893993 0.320632
H 1.536651 -1.199687 -2.691963
H 1.847957 0.016487 -1.374769
H -1.947056 -1.135383 -2.425742
H -1.595896 1.539112 1.418397
H -4.246653 -1.695277 -1.389477
H -3.962144 1.289212 -2.188451
H -1.565049 -0.841616 1.886259
H -2.587789 3.760234 1.910136
H -5.373598 -3.435393 -0.004739
H -4.944562 3.524281 -1.689233
H -2.697170 -2.569848 3.259583
H -4.259907 4.758296 0.360880
H -4.596745 -3.873430 2.319110


%chk=000299342-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299342

0 1
O -0.134630 -0.809527 -1.542851
O -2.609672 -0.440361 -2.164445
O -0.181238 0.475454 0.401682
N 3.993361 -0.803844 -0.142991
C 6.130316 0.504094 -0.266834
C 4.251220 1.198216 1.349553
C 5.780537 1.164705 1.088998
C 5.461119 -0.886400 -0.350529
C 3.672018 -0.229737 1.191169
C 3.327367 -2.104521 -0.396732
C 7.656088 0.392243 -0.466884
C 3.511877 2.215923 0.449089
C 1.786304 -1.996212 -0.474388
C 1.361190 -0.900636 -1.459367
C -2.319963 -0.131353 -0.761124
C -0.777886 -0.083507 -0.543332
C -2.930795 1.255900 -0.464965
C -2.916148 -1.236940 0.154385
C -3.073361 1.716252 0.866431
C -4.094437 -1.890521 -0.285440
C -3.329372 2.091264 -1.535892
C -2.356478 -1.587964 1.407924
C -3.605610 2.998305 1.122869
C -4.702776 -2.880521 0.515136
C -3.867974 3.371900 -1.276214
C -2.965930 -2.583485 2.206068
C -4.005896 3.831829 0.052839
C -4.140509 -3.232502 1.764825
H 5.707624 1.123792 -1.082527
H 4.087767 1.495968 2.406287
H 6.275973 0.585732 1.898019
H 6.195781 2.191121 1.127839
H 5.648191 -1.332321 -1.346815
H 5.942008 -1.560447 0.411044
H 4.077272 -0.885885 2.007584
H 2.574759 -0.186344 1.309320
H 3.589827 -2.868501 0.381272
H 3.712487 -2.489142 -1.362172
H 8.113605 -0.235096 0.322812
H 8.134676 1.388182 -0.422780
H 7.906053 -0.059156 -1.445813
H 3.589814 1.934163 -0.615718
H 2.437347 2.259873 0.706819
H 3.936007 3.230227 0.570881
H 1.377541 -2.973210 -0.793593
H 1.361082 -1.775197 0.520559
H 1.669320 -1.127494 -2.492501
H 1.757614 0.080473 -1.155049
H -1.905096 -1.064855 -2.481519
H -2.774946 1.078548 1.703625
H -4.513912 -1.615515 -1.257728
H -3.224024 1.721459 -2.558755
H -1.449140 -1.089135 1.766508
H -3.710104 3.344664 2.157245
H -5.614840 -3.377133 0.164909
H -4.178517 4.008733 -2.112481
H -2.521918 -2.849167 3.172171
H -4.422111 4.825641 0.253707
H -4.611962 -4.003030 2.385169


