%chk=000291434.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291434

0 1
O -1.759445 -1.395204 0.054167
O 3.472728 -2.661335 0.178353
O 1.365657 -2.264037 -0.056556
O 6.095946 2.863763 0.784246
O 6.706804 0.788771 0.711713
N 0.427620 0.165206 -0.000251
N -0.501643 1.181061 -0.018601
N 2.530150 -1.894551 0.107295
N 5.863263 1.669853 0.682421
C -1.771762 0.972512 -0.189482
C -2.623837 2.199776 -0.187947
C 1.750767 0.527747 0.176926
C -2.565168 -0.290949 -0.429585
C 2.783528 -0.467322 0.222433
C 2.137890 1.905087 0.311328
C 4.131269 -0.075689 0.389463
C 4.462793 1.264850 0.511186
C -3.397253 2.500760 0.942415
C -2.652306 3.032448 -1.314612
C 3.448047 2.266364 0.473098
C -2.259601 -2.681592 -0.124961
C -4.210972 3.636488 0.935583
C -3.471622 4.165309 -1.311886
C -4.251086 4.466397 -0.190437
C -3.544154 -2.982737 -0.582702
C -1.329461 -3.675348 0.230841
C -3.904105 -4.334526 -0.682066
C -1.717362 -5.006932 0.121386
C -3.003341 -5.340551 -0.333672
H -3.521717 -0.282154 0.131439
H -2.760811 -0.427416 -1.512832
H 0.142708 -0.853836 -0.075198
H 1.353765 2.672158 0.284541
H 4.919141 -0.851474 0.422228
H -3.355415 1.860761 1.823313
H -2.034288 2.803762 -2.182124
H 3.744921 3.319058 0.576062
H -4.812600 3.877676 1.811708
H -3.498297 4.816608 -2.185243
H -4.887509 5.350949 -0.191469
H -4.258721 -2.215099 -0.853914
H -0.329328 -3.397840 0.570959
H -4.901693 -4.594637 -1.036370
H -1.013757 -5.796923 0.388224
H -3.292443 -6.385911 -0.415019


%chk=000291434-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291434

0 1
O -1.596415 -1.495907 -0.068893
O 3.629160 -2.672009 0.240622
O 1.391516 -2.269640 0.107786
O 6.184678 3.043272 0.373579
O 6.850465 0.856806 0.424494
N 0.465643 0.194851 0.039872
N -0.466607 1.212064 -0.031673
N 2.632145 -1.858419 0.179536
N 5.939291 1.771772 0.364980
C -1.765950 0.978080 -0.100289
C -2.638136 2.188084 -0.181250
C 1.799806 0.549130 0.120416
C -2.506738 -0.357094 -0.106376
C 2.872473 -0.417850 0.189012
C 2.175740 1.935468 0.139677
C 4.223439 -0.013813 0.268793
C 4.530817 1.350001 0.281717
C -4.059413 2.086058 -0.171597
C -2.060722 3.488077 -0.274615
C 3.505771 2.334909 0.217595
C -2.195590 -2.787806 -0.083258
C -4.868944 3.239608 -0.249151
C -2.869263 4.636444 -0.351816
C -4.280775 4.520305 -0.339135
C -3.594624 -2.995521 -0.136552
C -1.297372 -3.879197 -0.042294
C -4.091512 -4.320810 -0.149522
C -1.813185 -5.190444 -0.056055
C -3.209672 -5.421230 -0.109819
H -3.185046 -0.392935 0.773122
H -3.135014 -0.408480 -1.021074
H 0.191733 -0.808137 0.030147
H 1.370705 2.669042 0.092249
H 5.012077 -0.768819 0.319175
H -4.556288 1.113377 -0.099091
H -0.971344 3.573745 -0.288690
H 3.784073 3.391865 0.231791
H -5.959401 3.136698 -0.238404
H -2.402030 5.624534 -0.424464
H -4.910367 5.414467 -0.400049
H -4.302961 -2.162991 -0.168633
H -0.222013 -3.692411 0.000076
H -5.174107 -4.484119 -0.191038
H -1.117652 -6.036104 -0.024302
H -3.601091 -6.443619 -0.120200


