%chk=000289827.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289827

0 1
O 0.323014 -2.854553 1.398624
O -0.271357 2.863840 1.293692
O -1.804462 2.065908 -2.328119
O 1.897631 -2.387707 -2.025114
O 0.137418 1.988537 -1.391144
O -0.122062 -1.779590 -1.569629
N -1.030750 1.637462 -1.490310
N 1.089137 -1.689590 -1.437291
C -0.697918 -0.094084 0.321309
C 0.777578 0.104155 0.315996
C -1.268837 -1.024602 1.214248
C 1.358509 1.054492 1.180962
C -1.550947 0.638573 -0.527754
C 1.622380 -0.665217 -0.508125
C -2.658139 -1.206911 1.239581
C 2.749998 1.219451 1.203828
C -0.404331 -1.858571 2.128055
C 0.503304 1.933534 2.060124
C -2.943057 0.446057 -0.498592
C 3.017566 -0.496179 -0.475196
C -3.492844 -0.475058 0.390195
C 3.577304 0.446789 0.383492
H -3.098147 -1.931659 1.928805
H 3.197451 1.963035 1.868058
H 0.402568 -1.269190 2.610252
H -0.994468 -2.365436 2.916197
H -0.266399 1.361149 2.616971
H 1.106858 2.517184 2.783195
H -3.583496 1.021886 -1.178555
H 3.652141 -1.111579 -1.125658
H -4.572782 -0.627697 0.417936
H 4.659318 0.584109 0.411735
H -0.278367 -3.352742 0.800179
H 0.249188 3.194106 0.520753


%chk=000289827-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289827

0 1
O 0.367315 -2.950734 1.237723
O -0.295193 2.974432 1.108188
O -1.997399 2.399877 -2.069649
O 2.081686 -2.517772 -1.957040
O 0.137143 1.699439 -1.735901
O -0.055915 -1.815111 -1.649170
N -1.131090 1.639833 -1.491522
N 1.212589 -1.737528 -1.411021
C -0.707953 -0.115431 0.272128
C 0.784016 0.097113 0.268788
C -1.262118 -1.060114 1.191231
C 1.335411 1.083555 1.144662
C -1.618644 0.649255 -0.502650
C 1.697016 -0.701664 -0.467928
C -2.666064 -1.209215 1.290405
C 2.738995 1.239031 1.239062
C -0.367664 -1.950449 2.039051
C 0.438652 2.008796 1.951728
C -3.018906 0.500152 -0.402583
C 3.096910 -0.546309 -0.372360
C -3.546264 -0.436511 0.501638
C 3.621581 0.432065 0.488195
H -3.071393 -1.943069 1.997414
H 3.142223 2.004819 1.912622
H 0.433710 -1.379081 2.536631
H -0.975431 -2.452371 2.818864
H -0.363779 1.458565 2.470889
H 1.044316 2.543059 2.711502
H -3.658763 1.123234 -1.031831
H 3.738614 -1.197156 -0.970856
H -4.629310 -0.563482 0.591545
H 4.704296 0.564570 0.573935
H -0.273433 -3.430882 0.652237
H 0.347848 3.438984 0.512770


