%chk=000206375.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206375

0 1
O 3.396122 -0.938598 0.761428
O -0.564510 -2.031785 -1.333227
O -2.536776 2.027068 0.116040
N -0.194960 0.195672 -0.876440
N 1.432069 -1.499122 -0.274804
N -3.427852 -0.057224 0.059860
C 0.647655 1.167340 -0.329838
C 0.372741 2.641761 -0.279524
C 1.614832 3.224848 0.439258
C 2.574098 2.040799 0.739932
C 1.852761 0.826617 0.224164
C 2.355162 -0.522361 0.303689
C -1.508408 0.543621 -1.462445
C 0.186522 -1.196286 -0.850996
C -2.521783 0.894317 -0.359778
C 1.812479 -2.937970 -0.248692
C -4.424203 0.304597 1.096335
C -3.503598 -1.442890 -0.441774
H 0.235420 3.076326 -1.285637
H -0.573617 2.860514 0.272115
H 1.318114 3.732662 1.372308
H 2.111001 3.982393 -0.188479
H 2.784622 1.949608 1.821354
H 3.551196 2.166790 0.238907
H -1.859727 -0.295838 -2.114486
H -1.404219 1.436192 -2.126226
H 2.905750 -3.027546 -0.096480
H 1.539064 -3.432343 -1.196891
H 1.301625 -3.457529 0.579087
H -4.256435 -0.275815 2.018443
H -5.447787 0.118763 0.733929
H -4.339684 1.380879 1.353248
H -2.556572 -1.768690 -0.922858
H -4.320263 -1.550697 -1.175538
H -3.688137 -2.148376 0.387020


%chk=000206375-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206375

0 1
O 3.605378 -0.847076 0.656537
O -0.641820 -2.072837 -0.953320
O -2.377598 1.715608 0.728426
N -0.158785 0.212390 -0.726080
N 1.465180 -1.452546 -0.142081
N -3.579351 -0.171457 0.065598
C 0.745783 1.198713 -0.340198
C 0.510238 2.693947 -0.423928
C 1.706329 3.266081 0.405227
C 2.800606 2.147255 0.432327
C 2.005430 0.894585 0.129624
C 2.463895 -0.473110 0.252258
C -1.520693 0.530757 -1.214201
C 0.179863 -1.162624 -0.620104
C -2.530006 0.718146 -0.054658
C 1.815396 -2.886958 -0.039995
C -4.602674 0.084356 1.099482
C -3.777780 -1.376724 -0.769806
H 0.550851 3.027208 -1.482162
H -0.473553 2.976906 -0.012240
H 1.361462 3.468403 1.434703
H 2.083692 4.214138 -0.014033
H 3.322946 2.085213 1.402837
H 3.581487 2.310828 -0.336486
H -1.812949 -0.253788 -1.925027
H -1.475971 1.496794 -1.743041
H 2.842678 -2.939293 0.349518
H 1.752104 -3.365926 -1.030995
H 1.115844 -3.401347 0.639196
H -4.599441 -0.724592 1.853952
H -5.606147 0.135346 0.637250
H -4.371682 1.039836 1.593169
H -2.811259 -1.832942 -1.037956
H -4.364267 -1.149028 -1.681574
H -4.342486 -2.118568 -0.179218


