%chk=000238866.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238866

0 1
O -0.277340 -1.988750 -0.568173
O 2.210938 -0.882120 -1.528193
O -0.738543 -0.621898 -2.331266
O -3.449917 0.212204 3.676293
O -1.639759 1.184970 3.023036
N 1.349602 0.550094 0.047390
N -2.737805 0.693842 2.808339
C -2.422392 0.833535 0.300898
C -0.025198 0.303720 -0.194276
C -0.976678 1.012800 0.446136
C -3.261890 0.690760 1.427861
C -3.016034 0.826822 -0.975617
C 3.766162 0.311609 -0.125471
C -4.652559 0.525444 1.273909
C 2.420305 -0.099200 -0.627326
C -4.392879 0.676674 -1.123253
C -5.215588 0.523281 0.002469
C -0.365286 -0.781453 -1.194859
C 4.123495 0.109794 1.214508
C 4.681009 0.863002 -1.032871
C 5.400808 0.473924 1.648320
C 5.954804 1.229320 -0.589468
C -0.498678 -3.196483 -1.375412
C 6.313673 1.036062 0.748734
C -1.978772 -3.388565 -1.621722
H -0.698824 1.791321 1.175870
H -2.380979 0.937087 -1.863306
H 1.562360 1.240137 0.775059
H -5.279190 0.396908 2.164257
H -4.834086 0.676652 -2.122359
H -6.291598 0.401570 -0.119085
H 3.416653 -0.340064 1.913048
H 4.400242 0.997076 -2.079386
H 5.686159 0.316840 2.688294
H 6.669653 1.660838 -1.289765
H -0.058419 -3.961082 -0.708885
H 0.088162 -3.099775 -2.306786
H 7.308934 1.320561 1.091328
H -2.183562 -4.358365 -2.090785
H -2.554185 -3.340507 -0.688017
H -2.375200 -2.608283 -2.289269


%chk=000238866-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000238866

0 1
O 0.092581 -2.011419 -0.877413
O 2.101398 -0.255225 -1.940780
O -1.098896 -0.632284 -2.338844
O -3.703039 0.771466 3.941115
O -1.664831 1.402560 3.169343
N 1.199129 0.453458 0.088031
N -2.897485 1.052628 2.969338
C -2.581314 0.871181 0.424641
C -0.163389 0.255903 -0.237773
C -1.112936 0.931762 0.494740
C -3.427237 0.975855 1.583930
C -3.256849 0.767795 -0.831116
C 3.644373 0.366727 -0.164603
C -4.840270 0.973669 1.489301
C 2.281304 0.151242 -0.753048
C -4.660437 0.771715 -0.927573
C -5.462424 0.878154 0.234027
C -0.435627 -0.798448 -1.288851
C 3.898282 0.366529 1.233349
C 4.723017 0.550213 -1.068402
C 5.209461 0.568283 1.716099
C 6.030385 0.755258 -0.583821
C 0.020080 -3.135036 -1.866998
C 6.276524 0.769963 0.810066
C -1.308777 -3.884529 -1.744300
H -0.728930 1.570080 1.297576
H -2.651926 0.703215 -1.738531
H 1.393414 0.949246 0.961469
H -5.422542 1.040098 2.411565
H -5.128428 0.703320 -1.915317
H -6.554347 0.890355 0.161509
H 3.094772 0.164214 1.952145
H 4.510624 0.524193 -2.142148
H 5.399938 0.557148 2.794547
H 6.856248 0.902623 -1.287898
H 0.881026 -3.766183 -1.595845
H 0.162819 -2.710800 -2.875627
H 7.292850 0.927712 1.187316
H -1.301997 -4.761549 -2.418150
H -1.465346 -4.244536 -0.712803
H -2.153597 -3.236255 -2.030068


