%chk=000244449.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244449

0 1
O -0.253957 0.035672 0.215025
O -2.019964 1.999883 -1.070665
O 0.243278 -2.010805 -0.672150
O 6.897089 0.224462 -0.132551
O 6.252043 1.634536 1.377799
N 6.044262 0.763366 0.551096
C -1.644308 -0.168177 0.122111
C -4.429529 -0.423596 0.107510
C -2.430647 0.834778 -0.477181
C -3.834046 0.700394 -0.471409
C -2.238482 -1.302766 0.691591
C -3.622300 -1.429729 0.683665
C 2.011975 -0.488852 0.000987
C 0.612386 -0.962618 -0.213369
C -5.891226 -0.586286 0.114333
C 3.030539 -1.083576 -0.759381
C 2.303572 0.506658 0.943937
C 4.635137 0.324044 0.359908
C 4.353394 -0.675159 -0.582204
C 3.624772 0.918849 1.128000
C -6.746056 0.411991 0.373269
C -0.597897 2.225524 -1.237722
C -8.225686 0.245237 0.388796
H -4.433089 1.480679 -0.939738
H -1.606778 -2.079268 1.125016
H -4.088598 -2.307756 1.126643
H -6.240310 -1.599125 -0.099504
H 2.785066 -1.869310 -1.482087
H 1.495315 0.954705 1.531910
H 5.165914 -1.125496 -1.164921
H 3.877135 1.694734 1.860482
H -6.395936 1.422475 0.600262
H -0.173799 1.465113 -1.898453
H -0.098762 2.232980 -0.262809
H -0.584505 3.217718 -1.705800
H -8.640124 0.490932 1.377881
H -8.705563 0.916570 -0.338914
H -8.550014 -0.775978 0.147437


%chk=000244449-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244449

0 1
O -0.192461 -0.162330 0.051664
O -1.744250 2.128102 0.061700
O 0.520744 -2.365735 -0.387964
O 7.113829 0.055190 0.254610
O 6.296541 2.078434 0.921142
N 6.141588 0.860039 0.524343
C -1.601930 -0.353565 0.020412
C -4.449178 -0.441223 0.145888
C -2.356515 0.858915 0.032318
C -3.758257 0.802442 0.100894
C -2.263327 -1.601406 0.046799
C -3.671039 -1.631325 0.107549
C 2.142435 -0.602313 0.063039
C 0.771174 -1.169600 -0.116734
C -5.919101 -0.548779 0.222514
C 3.245322 -1.452112 -0.216936
C 2.361522 0.729801 0.505324
C 4.752833 0.350820 0.366206
C 4.560882 -0.979107 -0.069346
C 3.673758 1.213370 0.660128
C -6.817679 0.476232 0.281656
C -0.987660 2.511145 -1.149229
C -8.313951 0.301473 0.361259
H -4.293375 1.756491 0.121972
H -1.687639 -2.527024 0.021791
H -4.177964 -2.602884 0.130645
H -6.311827 -1.576614 0.233230
H 3.048273 -2.476298 -0.548044
H 1.503175 1.366182 0.735295
H 5.429230 -1.608041 -0.280441
H 3.876736 2.231213 1.002202
H -6.457511 1.515940 0.275437
H -1.654127 2.520517 -2.033002
H -0.138548 1.827535 -1.326918
H -0.618859 3.528553 -0.948949
H -8.721686 0.769756 1.278923
H -8.819365 0.793533 -0.493265
H -8.601493 -0.764522 0.362688


