%chk=000281986.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281986

0 1
O -3.256724 -0.175178 1.052116
O -2.540192 -2.653906 -0.237589
O -0.032773 -2.540505 -1.625811
O 2.515919 0.682601 -1.785653
O 4.707492 0.110435 -0.363795
N -2.320869 1.848061 -0.853419
C -0.108463 0.898309 -0.725688
C -1.478514 1.003196 0.059271
C 0.020993 2.306909 -1.370425
C -1.238912 1.592921 1.468036
C -1.415110 2.813056 -1.567771
C -0.224484 -0.170755 -1.830154
C 1.096272 0.618909 0.149654
C -2.190861 -0.347287 0.215828
C -0.283863 0.705219 2.266144
C 1.020636 0.498033 1.550942
C -0.615251 -1.528911 -1.297200
C -1.779963 -1.496749 -0.378268
C -3.481308 2.516229 -0.211722
C 2.369074 0.479914 -0.437285
C 2.156823 0.187388 2.317893
C 3.505514 0.159555 0.341990
C 3.405847 0.005745 1.721463
C -4.147584 -1.300363 1.292122
C -1.803737 -3.796255 0.281709
C 5.314436 -1.209594 -0.396477
H 0.588716 2.259274 -2.316208
H 0.597915 2.982414 -0.714412
H -2.201502 1.686974 2.010368
H -0.828676 2.616742 1.377651
H -1.523367 3.858845 -1.221549
H -1.714441 2.790244 -2.637613
H 0.726107 -0.246250 -2.404583
H -0.989826 0.144188 -2.575760
H -0.754619 -0.284783 2.460996
H -0.114622 1.152101 3.267575
H -4.126401 2.920093 -1.010158
H -3.231402 3.332363 0.480765
H -4.075397 1.759757 0.336127
H 2.066056 0.088824 3.398089
H 4.285216 -0.235289 2.314781
H 3.478560 0.529622 -2.048638
H -4.952946 -0.832014 1.865979
H -3.620239 -2.067790 1.865000
H -4.502777 -1.710256 0.338136
H -1.402698 -3.570224 1.270196
H -1.004037 -4.072695 -0.419670
H -2.579944 -4.566079 0.318964
H 5.603509 -1.515122 0.612217
H 6.196167 -1.042980 -1.025777
H 4.627846 -1.931135 -0.848490


%chk=000281986-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281986

0 1
O -3.199808 -0.188108 1.247313
O -2.502335 -2.690742 -0.025097
O -0.643489 -2.490029 -2.189671
O 2.448333 0.416377 -1.949489
O 4.557396 -0.427607 -0.654591
N -2.307481 1.938009 -0.821812
C -0.170912 0.900979 -0.767835
C -1.497791 1.043231 0.067887
C 0.021681 2.348107 -1.343138
C -1.177577 1.653494 1.466899
C -1.405344 2.955466 -1.423588
C -0.448658 -0.069329 -1.953837
C 1.043745 0.464582 0.067335
C -2.208833 -0.307041 0.277292
C -0.263020 0.706770 2.265231
C 0.998915 0.345622 1.491717
C -0.939320 -1.441279 -1.530735
C -1.859380 -1.477727 -0.373279
C -3.586895 2.474177 -0.339742
C 2.286528 0.216911 -0.567735
C 2.141627 -0.076716 2.208589
C 3.423655 -0.217892 0.167065
C 3.359365 -0.381095 1.559964
C -4.305248 -1.166727 1.368606
C -1.600583 -3.830095 0.265020
C 5.774547 -0.922872 -0.013528
H 0.527375 2.303130 -2.320643
H 0.663692 2.942499 -0.670597
H -2.114282 1.828359 2.021896
H -0.675369 2.629418 1.320852
H -1.448069 3.922789 -0.866482
H -1.721996 3.166756 -2.463484
H 0.443438 -0.189405 -2.584873
H -1.255079 0.385338 -2.564433
H -0.830920 -0.208206 2.527141
H 0.022330 1.176799 3.225833
H -4.132534 2.921132 -1.191970
H -3.474929 3.268193 0.439777
H -4.205858 1.666859 0.080893
H 2.081455 -0.160333 3.299983
H 4.227860 -0.712208 2.136981
H 3.379549 0.152629 -2.184021
H -5.064264 -0.639986 1.969375
H -3.965001 -2.082153 1.874174
H -4.699514 -1.430164 0.373877
H -0.891090 -3.567542 1.074473
H -1.051501 -4.118291 -0.645078
H -2.267542 -4.642108 0.595770
H 6.146302 -0.201648 0.739568
H 6.511547 -1.029569 -0.822951
H 5.596882 -1.904955 0.464996


